4-methyl-2-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]pentanoic acid

C14H17N3O4S — CID 82032566

IUPAC4-methyl-2-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]pentanoic acid
SMILESCc1c(C(=O)NC(CC(C)C)C(=O)O)sc2nc[nH]c(=O)c12
InChIInChI=1S/C14H17N3O4S/c1-6(2)4-8(14(20)21)17-12(19)10-7(3)9-11(18)15-5-16-13(9)22-10/h5-6,8H,4H2,1-3H3,(H,17,19)(H,20,21)(H,15,16,18)
InChIKeyBLEVOCZYVNWVCP-UHFFFAOYSA-N
MW323.37 g/mol
LogP1.52
Rot. Bonds5

About 4-methyl-2-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]pentanoic acid

4-methyl-2-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]pentanoic acid (PubChem CID 82032566) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is 4-methyl-2-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]pentanoic acid
PubChem CID82032566
Molecular FormulaC14H17N3O4S
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC Name4-methyl-2-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]pentanoic acid
SMILESCc1c(C(=O)NC(CC(C)C)C(=O)O)sc2nc[nH]c(=O)c12
InChIInChI=1S/C14H17N3O4S/c1-6(2)4-8(14(20)21)17-12(19)10-7(3)9-11(18)15-5-16-13(9)22-10/h5-6,8H,4H2,1-3H3,(H,17,19)(H,20,21)(H,15,16,18)
InChIKeyBLEVOCZYVNWVCP-UHFFFAOYSA-N
XLogP1.52
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-methyl-2-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]pentanoic acid with MolForge

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Related Compounds

(2S)-2-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]butanoic acid
CID 39164951
(2R)-3-methyl-2-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]butanoic acid
CID 39164923
N-(1,3-dihydroxypropan-2-yl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 65312350
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 91822194
(2S)-4-methyl-2-[(3,4,6-trimethylthieno[2,3-b]pyridine-2-carbonyl)amino]pentanoic acid
CID 99701940
2-methyl-2-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]propanoic acid
CID 39164975
N-[(2S)-4-(furan-2-yl)butan-2-yl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 92877004
ethyl 5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 731240
methyl 3-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]propanoate
CID 60628973
5-methyl-N-(4-methyl-1H-pyrazol-5-yl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 104620178
N-(1-hydroxy-2-methylbutan-2-yl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 64556977
5-methyl-4-oxo-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 91639491

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]pentanoic acid?
The IUPAC name of 4-methyl-2-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]pentanoic acid (CID 82032566) is 4-methyl-2-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]pentanoic acid?
The canonical SMILES for 4-methyl-2-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]pentanoic acid is Cc1c(C(=O)NC(CC(C)C)C(=O)O)sc2nc[nH]c(=O)c12.
What is the InChIKey of 4-methyl-2-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]pentanoic acid?
The InChIKey is BLEVOCZYVNWVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S/c1-6(2)4-8(14(20)21)17-12(19)10-7(3)9-11(18)15-5-16-13(9)22-10/h5-6,8H,4H2,1-3H3,(H,17,19)(H,20,21)(H,15,16,18).
What are the key properties of 4-methyl-2-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]pentanoic acid?
4-methyl-2-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]pentanoic acid has a molecular weight of 323.37 g/mol, XLogP of 1.52, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 82032566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).