[2-methyl-2-[[(5S)-5-oxo-2-(4-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]propyl] carbamate

C20H25N7O3S — CID 176868179

IUPAC[2-methyl-2-[[(5S)-5-oxo-2-(4-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]propyl] carbamate
SMILESCC(C)(COC(N)=O)Nc1nc(N2CC=C(c3ncccn3)CC2)nc2c1[S@@](=O)CC2
InChIInChI=1S/C20H25N7O3S/c1-20(2,12-30-18(21)28)26-17-15-14(6-11-31(15)29)24-19(25-17)27-9-4-13(5-10-27)16-22-7-3-8-23-16/h3-4,7-8H,5-6,9-12H2,1-2H3,(H2,21,28)(H,24,25,26)/t31-/m0/s1
InChIKeyJHEPTDRARALOIG-HKBQPEDESA-N
MW443.53 g/mol
LogP1.51
Rot. Bonds6

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

[2-methyl-2-[[(5S)-5-oxo-2-(4-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]propyl] carbamate (PubChem CID 176868179) has the molecular formula C20H25N7O3S and a molecular weight of 443.53 g/mol. Its IUPAC name is [2-methyl-2-[[(5S)-5-oxo-2-(4-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]propyl] carbamate.

Molecular Properties

Compound Name[2-methyl-2-[[(5S)-5-oxo-2-(4-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]propyl] carbamate
PubChem CID176868179
Molecular FormulaC20H25N7O3S
Molecular Weight443.53 g/mol
Exact Mass443.17
IUPAC Name[2-methyl-2-[[(5S)-5-oxo-2-(4-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]propyl] carbamate
SMILESCC(C)(COC(N)=O)Nc1nc(N2CC=C(c3ncccn3)CC2)nc2c1[S@@](=O)CC2
InChIInChI=1S/C20H25N7O3S/c1-20(2,12-30-18(21)28)26-17-15-14(6-11-31(15)29)24-19(25-17)27-9-4-13(5-10-27)16-22-7-3-8-23-16/h3-4,7-8H,5-6,9-12H2,1-2H3,(H2,21,28)(H,24,25,26)/t31-/m0/s1
InChIKeyJHEPTDRARALOIG-HKBQPEDESA-N
XLogP1.51
TPSA136.22 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Related Compounds

[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
[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
[2-[[(5R)-2-[4-[5-(dimethylamino)pyrimidin-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 176868453
[2-[[2-[4-(5-cyclobutylpyrimidin-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 176869357
2-N-[(5R)-2-[4-(5-cyclopropylpyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]-2-methylpropane-1,2-diamine
CID 176868816
3-[[(5R)-2-[4-(5-cyclopropylpyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutanenitrile
CID 176866913
[2-methyl-2-[[(5R)-2-[(10S)-5-methyl-8-oxa-1,3,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-12-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]propyl] carbamate
CID 176867962
tert-butyl N-[[1-[[5-oxo-2-[4-(5-prop-1-ynylpyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclobutyl]methyl]carbamate
CID 176867442
2-[4-[[(5R)-2-[4-(5-chloropyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-2-fluorophenyl]acetamide
CID 176867580
[1-[[(5R)-2-[4-(4-methyl-1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclobutyl]methyl carbamate
CID 176868771
[1-[[2-[4-(5-cyclopropylpyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclobutyl]methyl N-methylcarbamate
CID 176868862
[1-[[(5R)-2-[4-(5-chloropyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopentyl]methyl N-(2,2,2-trichloroacetyl)carbamate
CID 176867286

Frequently Asked Questions

What is the IUPAC name of [2-methyl-2-[[(5S)-5-oxo-2-(4-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]propyl] carbamate?
The IUPAC name of [2-methyl-2-[[(5S)-5-oxo-2-(4-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]propyl] carbamate (CID 176868179) is [2-methyl-2-[[(5S)-5-oxo-2-(4-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]propyl] carbamate.
What is the SMILES notation for [2-methyl-2-[[(5S)-5-oxo-2-(4-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]propyl] carbamate?
The canonical SMILES for [2-methyl-2-[[(5S)-5-oxo-2-(4-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]propyl] carbamate is CC(C)(COC(N)=O)Nc1nc(N2CC=C(c3ncccn3)CC2)nc2c1[S@@](=O)CC2.
What is the InChIKey of [2-methyl-2-[[(5S)-5-oxo-2-(4-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]propyl] carbamate?
The InChIKey is JHEPTDRARALOIG-HKBQPEDESA-N. The full InChI is InChI=1S/C20H25N7O3S/c1-20(2,12-30-18(21)28)26-17-15-14(6-11-31(15)29)24-19(25-17)27-9-4-13(5-10-27)16-22-7-3-8-23-16/h3-4,7-8H,5-6,9-12H2,1-2H3,(H2,21,28)(H,24,25,26)/t31-/m0/s1.
What are the key properties of [2-methyl-2-[[(5S)-5-oxo-2-(4-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]propyl] carbamate?
[2-methyl-2-[[(5S)-5-oxo-2-(4-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]propyl] carbamate has a molecular weight of 443.53 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-2-[[(5S)-5-oxo-2-(4-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]propyl] carbamate is sourced from PubChem (CID 176868179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).