1-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid

C15H23N3O3 — CID 136972367

IUPAC1-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
SMILESCC(C)c1nc(NC2CCCCC2(C)C(=O)O)cc(=O)[nH]1
InChIInChI=1S/C15H23N3O3/c1-9(2)13-17-11(8-12(19)18-13)16-10-6-4-5-7-15(10,3)14(20)21/h8-10H,4-7H2,1-3H3,(H,20,21)(H2,16,17,18,19)
InChIKeyLEUFEVOXBBJCSX-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.34
Rot. Bonds4

About 1-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid

1-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid (PubChem CID 136972367) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
PubChem CID136972367
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name1-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
SMILESCC(C)c1nc(NC2CCCCC2(C)C(=O)O)cc(=O)[nH]1
InChIInChI=1S/C15H23N3O3/c1-9(2)13-17-11(8-12(19)18-13)16-10-6-4-5-7-15(10,3)14(20)21/h8-10H,4-7H2,1-3H3,(H,20,21)(H2,16,17,18,19)
InChIKeyLEUFEVOXBBJCSX-UHFFFAOYSA-N
XLogP2.34
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

4-[[2-(hydroxymethyl)cyclohexyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136746833
cis-(1R,3S)-3-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
CID 136876806
4-[(1-methylcyclopentyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136975733
1-methyl-2-[(5-propan-2-yl-1H-1,2,4-triazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 83212187
4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136696617
1-methyl-2-[(4-nitro-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
CID 83214225
1-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 83213900
4-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
CID 137015861
4-[(2,3-dimethylcyclopentyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136976044
N-cyclopropyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide
CID 136976813
1-methyl-2-(1,2,4-thiadiazol-5-ylamino)cyclohexane-1-carboxylic acid
CID 83214146
4-(2-cyclohexylethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136974200

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid (CID 136972367) is 1-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid is CC(C)c1nc(NC2CCCCC2(C)C(=O)O)cc(=O)[nH]1.
What is the InChIKey of 1-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is LEUFEVOXBBJCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-9(2)13-17-11(8-12(19)18-13)16-10-6-4-5-7-15(10,3)14(20)21/h8-10H,4-7H2,1-3H3,(H,20,21)(H2,16,17,18,19).
What are the key properties of 1-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid?
1-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 293.37 g/mol, XLogP of 2.34, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 136972367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).