1-[(6-methoxypyrimidin-4-yl)amino]-3-methylcyclohexane-1-carboxylic acid

C13H19N3O3 — CID 66317830

IUPAC1-[(6-methoxypyrimidin-4-yl)amino]-3-methylcyclohexane-1-carboxylic acid
SMILESCOc1cc(NC2(C(=O)O)CCCC(C)C2)ncn1
InChIInChI=1S/C13H19N3O3/c1-9-4-3-5-13(7-9,12(17)18)16-10-6-11(19-2)15-8-14-10/h6,8-9H,3-5,7H2,1-2H3,(H,17,18)(H,14,15,16)
InChIKeyGXFIOSWGIFMYCG-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.93
Rot. Bonds4

About 1-[(6-methoxypyrimidin-4-yl)amino]-3-methylcyclohexane-1-carboxylic acid

1-[(6-methoxypyrimidin-4-yl)amino]-3-methylcyclohexane-1-carboxylic acid (PubChem CID 66317830) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-[(6-methoxypyrimidin-4-yl)amino]-3-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(6-methoxypyrimidin-4-yl)amino]-3-methylcyclohexane-1-carboxylic acid
PubChem CID66317830
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name1-[(6-methoxypyrimidin-4-yl)amino]-3-methylcyclohexane-1-carboxylic acid
SMILESCOc1cc(NC2(C(=O)O)CCCC(C)C2)ncn1
InChIInChI=1S/C13H19N3O3/c1-9-4-3-5-13(7-9,12(17)18)16-10-6-11(19-2)15-8-14-10/h6,8-9H,3-5,7H2,1-2H3,(H,17,18)(H,14,15,16)
InChIKeyGXFIOSWGIFMYCG-UHFFFAOYSA-N
XLogP1.93
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(6-methoxypyrimidin-4-yl)amino]-3-methylcyclohexane-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

(2S)-2-[(6-methoxypyrimidin-4-yl)amino]-5,5-dimethylhexanoic acid
CID 172210171
(2S)-2-[(2,6-dimethoxypyrimidin-4-yl)amino]-5,5-dimethylhexanoic acid
CID 172210239
2-Cyclohexyl-2-[(4-methoxypyrimidin-2-yl)amino]acetic acid
CID 54901729
3-[(4-Methoxypyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid
CID 55147108
1-[(4-Methoxypyrimidin-2-yl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 61289574
1-[(4-Methoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid
CID 61289716
1-[(4-Methoxypyrimidin-2-yl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 61289787
1-[(4-Methoxypyrimidin-2-yl)amino]cycloheptane-1-carboxylic acid
CID 61290292
1-[(4-Methoxypyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid
CID 61291799
4-Ethyl-1-[(4-methoxypyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid
CID 61295249
4-[2-[(4-Methoxypyrimidin-2-yl)amino]ethyl]heptanoic acid
CID 64344543
2-[1-[(4-Methoxypyrimidin-2-yl)amino]cyclopentyl]acetic acid
CID 64699791

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methoxypyrimidin-4-yl)amino]-3-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(6-methoxypyrimidin-4-yl)amino]-3-methylcyclohexane-1-carboxylic acid (CID 66317830) is 1-[(6-methoxypyrimidin-4-yl)amino]-3-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(6-methoxypyrimidin-4-yl)amino]-3-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(6-methoxypyrimidin-4-yl)amino]-3-methylcyclohexane-1-carboxylic acid is COc1cc(NC2(C(=O)O)CCCC(C)C2)ncn1.
What is the InChIKey of 1-[(6-methoxypyrimidin-4-yl)amino]-3-methylcyclohexane-1-carboxylic acid?
The InChIKey is GXFIOSWGIFMYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9-4-3-5-13(7-9,12(17)18)16-10-6-11(19-2)15-8-14-10/h6,8-9H,3-5,7H2,1-2H3,(H,17,18)(H,14,15,16).
What are the key properties of 1-[(6-methoxypyrimidin-4-yl)amino]-3-methylcyclohexane-1-carboxylic acid?
1-[(6-methoxypyrimidin-4-yl)amino]-3-methylcyclohexane-1-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methoxypyrimidin-4-yl)amino]-3-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 66317830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).