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

C14H21N3O3 — CID 136958611

IUPAC1-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
SMILESCC(C)c1nc(NC2(C(=O)O)CCCCC2)cc(=O)[nH]1
InChIInChI=1S/C14H21N3O3/c1-9(2)12-15-10(8-11(18)16-12)17-14(13(19)20)6-4-3-5-7-14/h8-9H,3-7H2,1-2H3,(H,19,20)(H2,15,16,17,18)
InChIKeyKDPOGBMKPWNRJU-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.09
Rot. Bonds4

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

1-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid (PubChem CID 136958611) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
PubChem CID136958611
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name1-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
SMILESCC(C)c1nc(NC2(C(=O)O)CCCCC2)cc(=O)[nH]1
InChIInChI=1S/C14H21N3O3/c1-9(2)12-15-10(8-11(18)16-12)17-14(13(19)20)6-4-3-5-7-14/h8-9H,3-7H2,1-2H3,(H,19,20)(H2,15,16,17,18)
InChIKeyKDPOGBMKPWNRJU-UHFFFAOYSA-N
XLogP2.09
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

3,3-dimethyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 136689829
4-[[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 136695116
4-[[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 136695118
1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-3-methylpiperidine-2-carboxylic acid
CID 136896338
3-methyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 136896339
3-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 136896342
1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-3-methylpiperidine-2-carboxylic acid
CID 136896344
2-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]pentanoic acid
CID 136958467
2-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
CID 136958468
2-cyclohexyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid
CID 136958587
2-cyclohexyl-2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 136958588
2-cyclohexyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 136958589

Frequently Asked Questions

What is the IUPAC name of 1-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid (CID 136958611) is 1-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid is CC(C)c1nc(NC2(C(=O)O)CCCCC2)cc(=O)[nH]1.
What is the InChIKey of 1-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is KDPOGBMKPWNRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-9(2)12-15-10(8-11(18)16-12)17-14(13(19)20)6-4-3-5-7-14/h8-9H,3-7H2,1-2H3,(H,19,20)(H2,15,16,17,18).
What are the key properties of 1-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid?
1-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 2.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 136958611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).