4-methyl-2-(1-methylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid

C13H18N2O3 — CID 136980762

IUPAC4-methyl-2-(1-methylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCc1nc(C2(C)CCCCC2)[nH]c(=O)c1C(=O)O
InChIInChI=1S/C13H18N2O3/c1-8-9(11(17)18)10(16)15-12(14-8)13(2)6-4-3-5-7-13/h3-7H2,1-2H3,(H,17,18)(H,14,15,16)
InChIKeyYGBJZEAPQQIETK-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.00
Rot. Bonds2

About 4-methyl-2-(1-methylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid

4-methyl-2-(1-methylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid (PubChem CID 136980762) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-methyl-2-(1-methylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-(1-methylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
PubChem CID136980762
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name4-methyl-2-(1-methylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCc1nc(C2(C)CCCCC2)[nH]c(=O)c1C(=O)O
InChIInChI=1S/C13H18N2O3/c1-8-9(11(17)18)10(16)15-12(14-8)13(2)6-4-3-5-7-13/h3-7H2,1-2H3,(H,17,18)(H,14,15,16)
InChIKeyYGBJZEAPQQIETK-UHFFFAOYSA-N
XLogP2.00
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 135881426
2-[2-(1-methylcyclohexyl)-1H-imidazol-5-yl]acetic acid
CID 115033429
5-cyclopentyl-4-hydroxy-2-(1-methylcyclopropyl)-1H-pyrimidin-6-one
CID 112569367
4-methyl-2-(1-methylcyclopentyl)-1,3-thiazole-5-carboxylic acid
CID 115035110
2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidine-5-carboxylic acid
CID 113432871
2-(1-methoxycycloheptyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 116775156
2-(1-methylcyclooctyl)-1H-benzimidazole
CID 173176716
5-(1-methylcyclohexyl)-1,2-oxazole-3-carboxylic acid
CID 115026295
4-hydroxy-5-methyl-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 80691519
2-(4-fluoro-2-methylphenyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 136873120
5-bromo-2-(1-methoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one
CID 136773826
2-hexyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 136951222

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(1-methylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 4-methyl-2-(1-methylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid (CID 136980762) is 4-methyl-2-(1-methylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-(1-methylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-(1-methylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid is Cc1nc(C2(C)CCCCC2)[nH]c(=O)c1C(=O)O.
What is the InChIKey of 4-methyl-2-(1-methylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The InChIKey is YGBJZEAPQQIETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-8-9(11(17)18)10(16)15-12(14-8)13(2)6-4-3-5-7-13/h3-7H2,1-2H3,(H,17,18)(H,14,15,16).
What are the key properties of 4-methyl-2-(1-methylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
4-methyl-2-(1-methylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid has a molecular weight of 250.30 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(1-methylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 136980762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).