[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

C24H31N7O3S — CID 176869357

IUPAC[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
SMILESCC(C)(COC(N)=O)Nc1nc(N2CC=C(c3ncc(C4CCC4)cn3)CC2)nc2c1S(=O)CC2
InChIInChI=1S/C24H31N7O3S/c1-24(2,14-34-22(25)32)30-21-19-18(8-11-35(19)33)28-23(29-21)31-9-6-16(7-10-31)20-26-12-17(13-27-20)15-4-3-5-15/h6,12-13,15H,3-5,7-11,14H2,1-2H3,(H2,25,32)(H,28,29,30)
InChIKeyVPQXJQJKVPHEDU-UHFFFAOYSA-N
MW497.63 g/mol
LogP2.78
Rot. Bonds7

About [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

[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 (PubChem CID 176869357) has the molecular formula C24H31N7O3S and a molecular weight of 497.63 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID176869357
Molecular FormulaC24H31N7O3S
Molecular Weight497.63 g/mol
Exact Mass497.22
IUPAC Name[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
SMILESCC(C)(COC(N)=O)Nc1nc(N2CC=C(c3ncc(C4CCC4)cn3)CC2)nc2c1S(=O)CC2
InChIInChI=1S/C24H31N7O3S/c1-24(2,14-34-22(25)32)30-21-19-18(8-11-35(19)33)28-23(29-21)31-9-6-16(7-10-31)20-26-12-17(13-27-20)15-4-3-5-15/h6,12-13,15H,3-5,7-11,14H2,1-2H3,(H2,25,32)(H,28,29,30)
InChIKeyVPQXJQJKVPHEDU-UHFFFAOYSA-N
XLogP2.78
TPSA136.22 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.63
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze [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 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-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
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
[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
2-[[2-[4-(5-cyclopropylpyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-2-methylpropan-1-ol
CID 177314309
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-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
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-(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
2-[[1-[[(5R)-2-[4-(5-ethynylpyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclobutyl]methyl]guanidine
CID 176866861
2-[4-(5-ethynylpyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
CID 176868466

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is CC(C)(COC(N)=O)Nc1nc(N2CC=C(c3ncc(C4CCC4)cn3)CC2)nc2c1S(=O)CC2.
What is the InChIKey of [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?
The InChIKey is VPQXJQJKVPHEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7O3S/c1-24(2,14-34-22(25)32)30-21-19-18(8-11-35(19)33)28-23(29-21)31-9-6-16(7-10-31)20-26-12-17(13-27-20)15-4-3-5-15/h6,12-13,15H,3-5,7-11,14H2,1-2H3,(H2,25,32)(H,28,29,30).
What are the key properties of [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?
[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 has a molecular weight of 497.63 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 176869357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).