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

C20H24FN7O3S — CID 176868845

IUPAC[2-[[(5R)-2-[4-(5-fluoropyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-2-methylpropyl] carbamate
SMILESCC(C)(COC(N)=O)Nc1nc(N2CC=C(c3ncc(F)cn3)CC2)nc2c1[S@](=O)CC2
InChIInChI=1S/C20H24FN7O3S/c1-20(2,11-31-18(22)29)27-17-15-14(5-8-32(15)30)25-19(26-17)28-6-3-12(4-7-28)16-23-9-13(21)10-24-16/h3,9-10H,4-8,11H2,1-2H3,(H2,22,29)(H,25,26,27)/t32-/m1/s1
InChIKeyRSPHKGHJBSHQDB-JGCGQSQUSA-N
MW461.52 g/mol
LogP1.65
Rot. Bonds6

About [2-[[(5R)-2-[4-(5-fluoropyrimidin-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-fluoropyrimidin-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 176868845) has the molecular formula C20H24FN7O3S and a molecular weight of 461.52 g/mol. Its IUPAC name is [2-[[(5R)-2-[4-(5-fluoropyrimidin-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-fluoropyrimidin-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 CID176868845
Molecular FormulaC20H24FN7O3S
Molecular Weight461.52 g/mol
Exact Mass461.16
IUPAC Name[2-[[(5R)-2-[4-(5-fluoropyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-2-methylpropyl] carbamate
SMILESCC(C)(COC(N)=O)Nc1nc(N2CC=C(c3ncc(F)cn3)CC2)nc2c1[S@](=O)CC2
InChIInChI=1S/C20H24FN7O3S/c1-20(2,11-31-18(22)29)27-17-15-14(5-8-32(15)30)25-19(26-17)28-6-3-12(4-7-28)16-23-9-13(21)10-24-16/h3,9-10H,4-8,11H2,1-2H3,(H2,22,29)(H,25,26,27)/t32-/m1/s1
InChIKeyRSPHKGHJBSHQDB-JGCGQSQUSA-N
XLogP1.65
TPSA136.22 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of [2-[[(5R)-2-[4-(5-fluoropyrimidin-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-fluoropyrimidin-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 176868845) is [2-[[(5R)-2-[4-(5-fluoropyrimidin-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-fluoropyrimidin-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-fluoropyrimidin-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 CC(C)(COC(N)=O)Nc1nc(N2CC=C(c3ncc(F)cn3)CC2)nc2c1[S@](=O)CC2.
What is the InChIKey of [2-[[(5R)-2-[4-(5-fluoropyrimidin-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 RSPHKGHJBSHQDB-JGCGQSQUSA-N. The full InChI is InChI=1S/C20H24FN7O3S/c1-20(2,11-31-18(22)29)27-17-15-14(5-8-32(15)30)25-19(26-17)28-6-3-12(4-7-28)16-23-9-13(21)10-24-16/h3,9-10H,4-8,11H2,1-2H3,(H2,22,29)(H,25,26,27)/t32-/m1/s1.
What are the key properties of [2-[[(5R)-2-[4-(5-fluoropyrimidin-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-fluoropyrimidin-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 461.52 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(5R)-2-[4-(5-fluoropyrimidin-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 176868845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).