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

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Related Compounds

4-[methyl(2-phenylethyl)amino]pyrimidine-5-carboxylic acid
CID 114214476
2-[cyclopentylmethyl(methyl)amino]benzoic acid
CID 63632821
4-[[methyl(oxan-4-ylmethyl)amino]methyl]pyrimidine-5-carboxylic acid
CID 102974391
4-[methyl-[(2-methylphenyl)methyl]amino]pyrimidine-5-carboxylic acid
CID 115148967
2-[cyclohexylmethyl(methyl)amino]benzoic acid
CID 61446190
4-[cyclopropylmethyl(methyl)amino]pyrimidine-5-carbonitrile
CID 126979906
2-[cyclobutylmethyl(methyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 55125729
2-cyano-4-[methyl(spiro[2.5]octan-6-ylmethyl)amino]pyrimidine-5-carboxylic acid
CID 68703606
4-[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]pyrimidine-5-carboxylic acid
CID 115149008
ethyl 2-[cyclopentylmethyl(methyl)amino]pyridine-3-carboxylate
CID 133469103
4-N-(cyclohexylmethyl)-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80799110
2-cyclopentyl-1-(4-methylpyrimidin-5-yl)ethanone
CID 130871155

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).