4-methyl-2-[(2-methylcyclopentyl)methylamino]pyrimidine-5-carboxylic acid

C13H19N3O2 — CID 107418984

IUPAC4-methyl-2-[(2-methylcyclopentyl)methylamino]pyrimidine-5-carboxylic acid
SMILESCc1nc(NCC2CCCC2C)ncc1C(=O)O
InChIInChI=1S/C13H19N3O2/c1-8-4-3-5-10(8)6-14-13-15-7-11(12(17)18)9(2)16-13/h7-8,10H,3-6H2,1-2H3,(H,17,18)(H,14,15,16)
InChIKeyAUYPIJGKNMCMKL-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.33
Rot. Bonds4

About 4-methyl-2-[(2-methylcyclopentyl)methylamino]pyrimidine-5-carboxylic acid

4-methyl-2-[(2-methylcyclopentyl)methylamino]pyrimidine-5-carboxylic acid (PubChem CID 107418984) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-methyl-2-[(2-methylcyclopentyl)methylamino]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[(2-methylcyclopentyl)methylamino]pyrimidine-5-carboxylic acid
PubChem CID107418984
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name4-methyl-2-[(2-methylcyclopentyl)methylamino]pyrimidine-5-carboxylic acid
SMILESCc1nc(NCC2CCCC2C)ncc1C(=O)O
InChIInChI=1S/C13H19N3O2/c1-8-4-3-5-10(8)6-14-13-15-7-11(12(17)18)9(2)16-13/h7-8,10H,3-6H2,1-2H3,(H,17,18)(H,14,15,16)
InChIKeyAUYPIJGKNMCMKL-UHFFFAOYSA-N
XLogP2.33
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopentylmethylamino)-4-methylpyrimidine-5-carboxylic acid
CID 83181809
2-[(3-hydroxycyclohexyl)methylamino]-4-methylpyrimidine-5-carboxylic acid
CID 114148420
2-[[(1R,2R)-2-(hydroxymethyl)cyclopropyl]methylamino]-4-methylpyrimidine-5-carboxylic acid
CID 167892735
4-methyl-2-[(2-methylcyclopentyl)amino]pyrimidine-5-carboxylic acid
CID 83181541
4-methyl-2-[2-(3-methylcyclohexyl)ethylamino]pyrimidine-5-carboxylic acid
CID 83181984
2-[2-[cyclopentyl(methyl)amino]ethylamino]-4-methylpyrimidine-5-carboxylic acid
CID 83181981
2-[(3,3-dimethyloxan-4-yl)methylamino]-4-methylpyrimidine-5-carboxylic acid
CID 167803533
5-fluoro-2-[(2-methylcyclopentyl)methylamino]pyridine-3-carboxylic acid
CID 114034559
5-amino-2-[(2-methylcyclopentyl)methylamino]pyridine-3-carboxylic acid
CID 114047478
2-(2-cyclohexyloxyethylamino)-4-methylpyrimidine-5-carboxylic acid
CID 83181617
5-fluoro-N-[(2-methylcyclopentyl)methyl]pyrimidin-2-amine
CID 107419346
2-[(1,4-dimethylpiperazin-2-yl)methylamino]-4-methylpyrimidine-5-carboxylic acid
CID 83182057

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2-methylcyclopentyl)methylamino]pyrimidine-5-carboxylic acid?
The IUPAC name of 4-methyl-2-[(2-methylcyclopentyl)methylamino]pyrimidine-5-carboxylic acid (CID 107418984) is 4-methyl-2-[(2-methylcyclopentyl)methylamino]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[(2-methylcyclopentyl)methylamino]pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-[(2-methylcyclopentyl)methylamino]pyrimidine-5-carboxylic acid is Cc1nc(NCC2CCCC2C)ncc1C(=O)O.
What is the InChIKey of 4-methyl-2-[(2-methylcyclopentyl)methylamino]pyrimidine-5-carboxylic acid?
The InChIKey is AUYPIJGKNMCMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-8-4-3-5-10(8)6-14-13-15-7-11(12(17)18)9(2)16-13/h7-8,10H,3-6H2,1-2H3,(H,17,18)(H,14,15,16).
What are the key properties of 4-methyl-2-[(2-methylcyclopentyl)methylamino]pyrimidine-5-carboxylic acid?
4-methyl-2-[(2-methylcyclopentyl)methylamino]pyrimidine-5-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2-methylcyclopentyl)methylamino]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 107418984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).