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

C13H19N3O4S — CID 43352966

IUPAC6-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid
SMILESCSc1nc(=O)[nH]c(C)c1C(=O)NCCCCCC(=O)O
InChIInChI=1S/C13H19N3O4S/c1-8-10(12(21-2)16-13(20)15-8)11(19)14-7-5-3-4-6-9(17)18/h3-7H2,1-2H3,(H,14,19)(H,17,18)(H,15,16,20)
InChIKeyOWJMDMBUJNOYRL-UHFFFAOYSA-N
MW313.38 g/mol
LogP1.18
Rot. Bonds8

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

6-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid (PubChem CID 43352966) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is 6-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid
PubChem CID43352966
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Name6-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid
SMILESCSc1nc(=O)[nH]c(C)c1C(=O)NCCCCCC(=O)O
InChIInChI=1S/C13H19N3O4S/c1-8-10(12(21-2)16-13(20)15-8)11(19)14-7-5-3-4-6-9(17)18/h3-7H2,1-2H3,(H,14,19)(H,17,18)(H,15,16,20)
InChIKeyOWJMDMBUJNOYRL-UHFFFAOYSA-N
XLogP1.18
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]butanoic acid
CID 43172720
6-methyl-2-oxo-4-(2-oxoazepan-3-yl)sulfanyl-1H-pyrimidine-5-carboxylic acid
CID 43350648
4-methyl-2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]pentanoic acid
CID 43353350
4-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]butanoic acid
CID 43355135
1-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)piperidine-2-carboxylic acid
CID 43356082
3-methyl-2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]pentanoic acid
CID 43356519
4-[methyl-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]butanoic acid
CID 43360145
2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid
CID 43469818
2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]pentanoic acid
CID 43630869
(2S,3S)-3-methyl-2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]pentanoic acid
CID 61132026
(2S)-4-methyl-2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]pentanoic acid
CID 61154484
(2S)-3-methyl-2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]pentanoic acid
CID 61173080

Frequently Asked Questions

What is the IUPAC name of 6-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid?
The IUPAC name of 6-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid (CID 43352966) is 6-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 6-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid?
The canonical SMILES for 6-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid is CSc1nc(=O)[nH]c(C)c1C(=O)NCCCCCC(=O)O.
What is the InChIKey of 6-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid?
The InChIKey is OWJMDMBUJNOYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-8-10(12(21-2)16-13(20)15-8)11(19)14-7-5-3-4-6-9(17)18/h3-7H2,1-2H3,(H,14,19)(H,17,18)(H,15,16,20).
What are the key properties of 6-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid?
6-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid has a molecular weight of 313.38 g/mol, XLogP of 1.18, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 43352966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).