4-[cyclopentylmethyl(methyl)amino]pyrimidine-5-carboxylic acid

C12H17N3O2 — CID 115148973

IUPAC4-[cyclopentylmethyl(methyl)amino]pyrimidine-5-carboxylic acid
SMILESCN(CC1CCCC1)c1ncncc1C(=O)O
InChIInChI=1S/C12H17N3O2/c1-15(7-9-4-2-3-5-9)11-10(12(16)17)6-13-8-14-11/h6,8-9H,2-5,7H2,1H3,(H,16,17)
InChIKeyQVELJZOOPQPXDP-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.80
Rot. Bonds4

About 4-[cyclopentylmethyl(methyl)amino]pyrimidine-5-carboxylic acid

4-[cyclopentylmethyl(methyl)amino]pyrimidine-5-carboxylic acid (PubChem CID 115148973) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-[cyclopentylmethyl(methyl)amino]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-[cyclopentylmethyl(methyl)amino]pyrimidine-5-carboxylic acid
PubChem CID115148973
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name4-[cyclopentylmethyl(methyl)amino]pyrimidine-5-carboxylic acid
SMILESCN(CC1CCCC1)c1ncncc1C(=O)O
InChIInChI=1S/C12H17N3O2/c1-15(7-9-4-2-3-5-9)11-10(12(16)17)6-13-8-14-11/h6,8-9H,2-5,7H2,1H3,(H,16,17)
InChIKeyQVELJZOOPQPXDP-UHFFFAOYSA-N
XLogP1.80
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[cyclopentylmethyl(methyl)amino]pyrimidine-5-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

4-Amino-2-methylpyrimidine-5-carboxylic acid
CID 345536
2-Tert-butylpyrimidine-5-carboxylic acid
CID 824799
4-Aminopyrimidine-5-carboxylic acid
CID 1201440
2-Dimethylamino-pyrimidine-5-carboxylic acid
CID 255081
2-Methylpyrimidine-5-carboxylic acid
CID 13670875
2-Ethylpyrimidine-5-carboxylic acid
CID 19979063
2-Cyclopropyl-5-pyrimidinecarboxylic acid
CID 23082051
2-Isopropylpyrimidine-5-carboxylic acid
CID 24903620
2-Piperidin-1-yl-pyrimidine-5-carboxylic acid
CID 3160976
2-Pyrrolidin-1-ylpyrimidine-5-carboxylic acid
CID 6622038
4-Amino-2-cyclopentylpyrimidine-5-carboxylic acid
CID 75445456
4-(Dimethylamino)-2-methylpyrimidine-5-carboxylic acid
CID 23423586

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopentylmethyl(methyl)amino]pyrimidine-5-carboxylic acid?
The IUPAC name of 4-[cyclopentylmethyl(methyl)amino]pyrimidine-5-carboxylic acid (CID 115148973) is 4-[cyclopentylmethyl(methyl)amino]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-[cyclopentylmethyl(methyl)amino]pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-[cyclopentylmethyl(methyl)amino]pyrimidine-5-carboxylic acid is CN(CC1CCCC1)c1ncncc1C(=O)O.
What is the InChIKey of 4-[cyclopentylmethyl(methyl)amino]pyrimidine-5-carboxylic acid?
The InChIKey is QVELJZOOPQPXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-15(7-9-4-2-3-5-9)11-10(12(16)17)6-13-8-14-11/h6,8-9H,2-5,7H2,1H3,(H,16,17).
What are the key properties of 4-[cyclopentylmethyl(methyl)amino]pyrimidine-5-carboxylic acid?
4-[cyclopentylmethyl(methyl)amino]pyrimidine-5-carboxylic acid has a molecular weight of 235.29 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopentylmethyl(methyl)amino]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 115148973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).