2-[(3-methylcyclopentyl)methylamino]pyrimidine-4-carboxylic acid

C12H17N3O2 — CID 107554558

IUPAC2-[(3-methylcyclopentyl)methylamino]pyrimidine-4-carboxylic acid
SMILESCC1CCC(CNc2nccc(C(=O)O)n2)C1
InChIInChI=1S/C12H17N3O2/c1-8-2-3-9(6-8)7-14-12-13-5-4-10(15-12)11(16)17/h4-5,8-9H,2-3,6-7H2,1H3,(H,16,17)(H,13,14,15)
InChIKeyNVLHGRBSYDYYCX-UHFFFAOYSA-N
MW235.29 g/mol
LogP2.02
Rot. Bonds4

About 2-[(3-methylcyclopentyl)methylamino]pyrimidine-4-carboxylic acid

2-[(3-methylcyclopentyl)methylamino]pyrimidine-4-carboxylic acid (PubChem CID 107554558) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-[(3-methylcyclopentyl)methylamino]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(3-methylcyclopentyl)methylamino]pyrimidine-4-carboxylic acid
PubChem CID107554558
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-[(3-methylcyclopentyl)methylamino]pyrimidine-4-carboxylic acid
SMILESCC1CCC(CNc2nccc(C(=O)O)n2)C1
InChIInChI=1S/C12H17N3O2/c1-8-2-3-9(6-8)7-14-12-13-5-4-10(15-12)11(16)17/h4-5,8-9H,2-3,6-7H2,1H3,(H,16,17)(H,13,14,15)
InChIKeyNVLHGRBSYDYYCX-UHFFFAOYSA-N
XLogP2.02
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-methylpyrrolidin-3-yl)methylamino]pyrimidine-4-carboxylic acid
CID 107553329
2-[(2,4-dimethylcyclohexyl)amino]pyrimidine-4-carboxylic acid
CID 107554016
4-methoxy-N-[(3-methylcyclopentyl)methyl]pyrimidin-2-amine
CID 107413823
2-[(4-methylcyclohexyl)methylamino]pyrimidine-4-carbothioamide
CID 107547443
2-(2-methylpropylamino)pyrimidine-4-carboxylic acid
CID 103689466
2-(oxetan-3-ylmethylamino)pyrimidine-4-carboxamide
CID 141444837
2-chloro-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 107414764
2-(3-propoxypropylamino)pyrimidine-4-carboxylic acid
CID 107554293
2-(3-butoxypropylamino)pyrimidine-4-carboxylic acid
CID 107554394
2-[[(2S,4R)-4-phenyloxolan-2-yl]methylamino]pyrimidine-4-carboxylic acid
CID 166331126
2-(cyclopentylamino)pyrimidine-4-carboxylic acid
CID 91076843
4-methyl-N-[(3-methylcyclopentyl)methyl]pyridin-2-amine
CID 107413738

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylcyclopentyl)methylamino]pyrimidine-4-carboxylic acid?
The IUPAC name of 2-[(3-methylcyclopentyl)methylamino]pyrimidine-4-carboxylic acid (CID 107554558) is 2-[(3-methylcyclopentyl)methylamino]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-[(3-methylcyclopentyl)methylamino]pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-[(3-methylcyclopentyl)methylamino]pyrimidine-4-carboxylic acid is CC1CCC(CNc2nccc(C(=O)O)n2)C1.
What is the InChIKey of 2-[(3-methylcyclopentyl)methylamino]pyrimidine-4-carboxylic acid?
The InChIKey is NVLHGRBSYDYYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8-2-3-9(6-8)7-14-12-13-5-4-10(15-12)11(16)17/h4-5,8-9H,2-3,6-7H2,1H3,(H,16,17)(H,13,14,15).
What are the key properties of 2-[(3-methylcyclopentyl)methylamino]pyrimidine-4-carboxylic acid?
2-[(3-methylcyclopentyl)methylamino]pyrimidine-4-carboxylic acid has a molecular weight of 235.29 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylcyclopentyl)methylamino]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 107554558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).