![1-allyl-6-isopropyl-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one structure](/static/products/879/879587-93-6.png)
1-allyl-6-isopropyl-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
TL;DR: 1-allyl-6-isopropyl-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one (CAS 879587-93-6) is a chemical compound with molecular formula C12H18N4OS and molecular weight 266.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-propan-2-yl-1-prop-2-enyl-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one
Also Known As: 1-allyl-6-isopropyl-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one, 6-propan-2-yl-1-prop-2-enyl-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one, 6-(propan-2-yl)-1-(prop-2-en-1-yl)-2-sulfanyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one, 9-propan-2-yl-5-prop-2-enyl-4-sulfanylidene-3,5,7,9-tetrazabicyclo[4.4.0]dec-11-en-2-one
| Molecular Formula | C12H18N4OS |
|---|---|
| Molecular Weight | 266.12 g/mol |
| LogP | 1.68529 |
| Topological Polar Surface Area | 53.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.12012 |
| Heavy Atoms | 18 |
| Complexity | 572.42065 |
Chemical Identifiers
| CAS Number | 879587-93-6 |
|---|---|
| SMILES | CC(C)N1CC2=C(NC1)N(C(=S)NC2=O)CC=C |
Product Overview
1-allyl-6-isopropyl-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one (CAS 879587-93-6), with molecular formula C12H18N4OS and molecular weight 266.12 g/mol. IUPAC: 6-propan-2-yl-1-prop-2-enyl-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one.
Chemical Property Profile of 1-allyl-6-isopropyl-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Property Insights of 1-allyl-6-isopropyl-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
The XLogP value of 1.68529 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-allyl-6-isopropyl-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one. With a topological polar surface area (TPSA) of 53.06 Ų, 1-allyl-6-isopropyl-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-allyl-6-isopropyl-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-allyl-6-isopropyl-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one?
The CAS number of 1-allyl-6-isopropyl-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one is 879587-93-6.
What is the molecular formula of 1-allyl-6-isopropyl-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one?
The molecular formula of 1-allyl-6-isopropyl-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one is C12H18N4OS.
What is the molecular weight of 1-allyl-6-isopropyl-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one?
The molecular weight of 1-allyl-6-isopropyl-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one is 266.12 g/mol.
Where can I buy 1-allyl-6-isopropyl-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one?
You can request a quote for 1-allyl-6-isopropyl-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-allyl-6-isopropyl-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1-allyl-6-isopropyl-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.