N-[(2S)-4-(furan-2-yl)butan-2-yl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide

C16H17N3O3S — CID 92877004

IUPACN-[(2S)-4-(furan-2-yl)butan-2-yl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)N[C@@H](C)CCc2ccco2)sc2nc[nH]c(=O)c12
InChIInChI=1S/C16H17N3O3S/c1-9(5-6-11-4-3-7-22-11)19-15(21)13-10(2)12-14(20)17-8-18-16(12)23-13/h3-4,7-9H,5-6H2,1-2H3,(H,19,21)(H,17,18,20)/t9-/m0/s1
InChIKeyHKBBKIDSFCTNFF-VIFPVBQESA-N
MW331.40 g/mol
LogP2.64
Rot. Bonds5

About N-[(2S)-4-(furan-2-yl)butan-2-yl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide

N-[(2S)-4-(furan-2-yl)butan-2-yl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 92877004) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-[(2S)-4-(furan-2-yl)butan-2-yl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(2S)-4-(furan-2-yl)butan-2-yl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID92877004
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC NameN-[(2S)-4-(furan-2-yl)butan-2-yl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)N[C@@H](C)CCc2ccco2)sc2nc[nH]c(=O)c12
InChIInChI=1S/C16H17N3O3S/c1-9(5-6-11-4-3-7-22-11)19-15(21)13-10(2)12-14(20)17-8-18-16(12)23-13/h3-4,7-9H,5-6H2,1-2H3,(H,19,21)(H,17,18,20)/t9-/m0/s1
InChIKeyHKBBKIDSFCTNFF-VIFPVBQESA-N
XLogP2.64
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzyl-N-[4-(furan-2-yl)butan-2-yl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 24654737
N-(1,3-dihydroxypropan-2-yl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 65312350
4-methyl-2-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]pentanoic acid
CID 82032566
(2S)-2-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]butanoic acid
CID 39164951
6-(furan-2-yl)-N-[4-(furan-2-yl)butan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 56821017
N-[4-(furan-2-yl)butan-2-yl]-2-oxo-1H-pyridine-4-carboxamide
CID 103763430
5-methyl-N-(4-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide;hydrochloride
CID 126476924
4-[4-(furan-2-yl)butan-2-ylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136975015
2-methyl-2-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]propanoic acid
CID 39164975
4-acetyl-N-[4-(furan-2-yl)butan-2-yl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 18136913
5-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 91822683
4-(furan-2-ylmethylamino)-5-methyl-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 26326223

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-(furan-2-yl)butan-2-yl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[(2S)-4-(furan-2-yl)butan-2-yl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide (CID 92877004) is N-[(2S)-4-(furan-2-yl)butan-2-yl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(2S)-4-(furan-2-yl)butan-2-yl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[(2S)-4-(furan-2-yl)butan-2-yl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(=O)N[C@@H](C)CCc2ccco2)sc2nc[nH]c(=O)c12.
What is the InChIKey of N-[(2S)-4-(furan-2-yl)butan-2-yl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is HKBBKIDSFCTNFF-VIFPVBQESA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-9(5-6-11-4-3-7-22-11)19-15(21)13-10(2)12-14(20)17-8-18-16(12)23-13/h3-4,7-9H,5-6H2,1-2H3,(H,19,21)(H,17,18,20)/t9-/m0/s1.
What are the key properties of N-[(2S)-4-(furan-2-yl)butan-2-yl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
N-[(2S)-4-(furan-2-yl)butan-2-yl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 331.40 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-(furan-2-yl)butan-2-yl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 92877004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).