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

C13H19N3O4S — CID 82845059

IUPAC5-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid
SMILESCSc1nc(=O)[nH]c(C)c1C(=O)NC(C)CCCC(=O)O
InChIInChI=1S/C13H19N3O4S/c1-7(5-4-6-9(17)18)14-11(19)10-8(2)15-13(20)16-12(10)21-3/h7H,4-6H2,1-3H3,(H,14,19)(H,17,18)(H,15,16,20)
InChIKeyXLZJRFUZPPXOFC-UHFFFAOYSA-N
MW313.38 g/mol
LogP1.17
Rot. Bonds7

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

5-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid (PubChem CID 82845059) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is 5-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name5-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid
PubChem CID82845059
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Name5-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid
SMILESCSc1nc(=O)[nH]c(C)c1C(=O)NC(C)CCCC(=O)O
InChIInChI=1S/C13H19N3O4S/c1-7(5-4-6-9(17)18)14-11(19)10-8(2)15-13(20)16-12(10)21-3/h7H,4-6H2,1-3H3,(H,14,19)(H,17,18)(H,15,16,20)
InChIKeyXLZJRFUZPPXOFC-UHFFFAOYSA-N
XLogP1.17
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

2-methyl-5-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]pentanoic acid
CID 104682064
6-methyl-4-methylsulfanyl-2-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrimidine-5-carboxamide
CID 103741517
N-(3-hydroxypropyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
CID 43500355
2-hydroxy-2-methyl-3-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]propanoic acid
CID 66172177
2-[butan-2-yl-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetic acid
CID 60829050
2-[2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]ethoxy]acetic acid
CID 79457503
5-[(2-methyl-1H-indole-3-carbonyl)amino]hexanoic acid
CID 82845531
N-(3-hydroxy-4-methoxybutyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
CID 103876794
2-[1-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)azetidin-3-yl]acetic acid
CID 64603185
N-(1-hydroxy-2-methylbutan-2-yl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
CID 64555401
5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]hexanoic acid
CID 82854561
2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]thiophene-3-carboxylic acid
CID 43357463

Frequently Asked Questions

What is the IUPAC name of 5-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid?
The IUPAC name of 5-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid (CID 82845059) is 5-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 5-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid?
The canonical SMILES for 5-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid is CSc1nc(=O)[nH]c(C)c1C(=O)NC(C)CCCC(=O)O.
What is the InChIKey of 5-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid?
The InChIKey is XLZJRFUZPPXOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-7(5-4-6-9(17)18)14-11(19)10-8(2)15-13(20)16-12(10)21-3/h7H,4-6H2,1-3H3,(H,14,19)(H,17,18)(H,15,16,20).
What are the key properties of 5-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid?
5-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid has a molecular weight of 313.38 g/mol, XLogP of 1.17, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 82845059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).