2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid

C13H17N3O4S — CID 64812471

IUPAC2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCSc1nc(=O)[nH]c(C)c1C(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C13H17N3O4S/c1-6-9(11(21-2)16-13(20)14-6)10(17)15-8-5-3-4-7(8)12(18)19/h7-8H,3-5H2,1-2H3,(H,15,17)(H,18,19)(H,14,16,20)
InChIKeyREKVUROYJYVERD-UHFFFAOYSA-N
MW311.36 g/mol
LogP0.78
Rot. Bonds4

About 2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid

2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 64812471) has the molecular formula C13H17N3O4S and a molecular weight of 311.36 g/mol. Its IUPAC name is 2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID64812471
Molecular FormulaC13H17N3O4S
Molecular Weight311.36 g/mol
Exact Mass311.09
IUPAC Name2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCSc1nc(=O)[nH]c(C)c1C(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C13H17N3O4S/c1-6-9(11(21-2)16-13(20)14-6)10(17)15-8-5-3-4-7(8)12(18)19/h7-8H,3-5H2,1-2H3,(H,15,17)(H,18,19)(H,14,16,20)
InChIKeyREKVUROYJYVERD-UHFFFAOYSA-N
XLogP0.78
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

6-methyl-N-[(1R,2R)-2-methylcyclohexyl]-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
CID 97001875
N-cyclopentyloxy-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
CID 83217255
N-[1-(hydroxymethyl)cyclopentyl]-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
CID 62517553
trans-(1S,2S)-2-[(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 97324250
(2S)-1-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)piperidine-2-carboxylic acid
CID 66264823
1-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)piperidine-3-carboxylic acid
CID 43355902
N-(1-hydroxy-2-methylbutan-2-yl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
CID 64555401
5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-6-methyl-4-methylsulfanyl-1H-pyrimidin-2-one
CID 102785360
2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 64815434
2-[2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]ethoxy]acetic acid
CID 79457503
2-[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 64812660
6-methyl-N-[(3-methyloxetan-3-yl)methyl]-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
CID 79487205

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 64812471) is 2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid is CSc1nc(=O)[nH]c(C)c1C(=O)NC1CCCC1C(=O)O.
What is the InChIKey of 2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is REKVUROYJYVERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4S/c1-6-9(11(21-2)16-13(20)14-6)10(17)15-8-5-3-4-7(8)12(18)19/h7-8H,3-5H2,1-2H3,(H,15,17)(H,18,19)(H,14,16,20).
What are the key properties of 2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid?
2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 311.36 g/mol, XLogP of 0.78, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64812471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).