[2-[[(5R)-2-[4-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-2-methylpropyl] carbamate

C21H27N7O4S — CID 176867197

About [2-[[(5R)-2-[4-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-2-methylpropyl] carbamate

[2-[[(5R)-2-[4-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-2-methylpropyl] carbamate (PubChem CID 176867197) has the molecular formula C21H27N7O4S and a molecular weight of 473.56 g/mol. Its IUPAC name is [2-[[(5R)-2-[4-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-2-methylpropyl] carbamate.

Molecular Properties

• Compound Name: [2-[[(5R)-2-[4-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-2-methylpropyl] carbamate
• PubChem CID: 176867197
• Molecular Formula: C21H27N7O4S
• Molecular Weight: 473.56 g/mol
• Exact Mass: 473.18
• IUPAC Name: [2-[[(5R)-2-[4-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-2-methylpropyl] carbamate
• SMILES: COc1cnc(C2=CCN(c3nc4c(c(NC(C)(C)COC(N)=O)n3)[S@](=O)CC4)CC2)nc1
• InChI: InChI=1S/C21H27N7O4S/c1-21(2,12-32-19(22)29)27-18-16-15(6-9-33(16)30)25-20(26-18)28-7-4-13(5-8-28)17-23-10-14(31-3)11-24-17/h4,10-11H,5-9,12H2,1-3H3,(H2,22,29)(H,25,26,27)/t33-/m1/s1
• InChIKey: WREWUXLOVNZMIV-MGBGTMOVSA-N
• XLogP: 1.52
• TPSA: 145.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.56
LogP ≤ 5	1.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of [2-[[(5R)-2-[4-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-2-methylpropyl] carbamate?

The IUPAC name of [2-[[(5R)-2-[4-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-2-methylpropyl] carbamate (CID 176867197) is [2-[[(5R)-2-[4-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-2-methylpropyl] carbamate.

What is the SMILES notation for [2-[[(5R)-2-[4-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-2-methylpropyl] carbamate?

The canonical SMILES for [2-[[(5R)-2-[4-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-2-methylpropyl] carbamate is COc1cnc(C2=CCN(c3nc4c(c(NC(C)(C)COC(N)=O)n3)[S@](=O)CC4)CC2)nc1.

What is the InChIKey of [2-[[(5R)-2-[4-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-2-methylpropyl] carbamate?

The InChIKey is WREWUXLOVNZMIV-MGBGTMOVSA-N. The full InChI is InChI=1S/C21H27N7O4S/c1-21(2,12-32-19(22)29)27-18-16-15(6-9-33(16)30)25-20(26-18)28-7-4-13(5-8-28)17-23-10-14(31-3)11-24-17/h4,10-11H,5-9,12H2,1-3H3,(H2,22,29)(H,25,26,27)/t33-/m1/s1.

What are the key properties of [2-[[(5R)-2-[4-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-2-methylpropyl] carbamate?

[2-[[(5R)-2-[4-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-2-methylpropyl] carbamate has a molecular weight of 473.56 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[[(5R)-2-[4-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-2-methylpropyl] carbamate is sourced from PubChem (CID 176867197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).