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

C12H17N3O2 — CID 83181541

IUPAC4-methyl-2-[(2-methylcyclopentyl)amino]pyrimidine-5-carboxylic acid
SMILESCc1nc(NC2CCCC2C)ncc1C(=O)O
InChIInChI=1S/C12H17N3O2/c1-7-4-3-5-10(7)15-12-13-6-9(11(16)17)8(2)14-12/h6-7,10H,3-5H2,1-2H3,(H,16,17)(H,13,14,15)
InChIKeyATSVIHBPFDKUPK-UHFFFAOYSA-N
MW235.29 g/mol
LogP2.08
Rot. Bonds3

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

4-methyl-2-[(2-methylcyclopentyl)amino]pyrimidine-5-carboxylic acid (PubChem CID 83181541) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-methyl-2-[(2-methylcyclopentyl)amino]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[(2-methylcyclopentyl)amino]pyrimidine-5-carboxylic acid
PubChem CID83181541
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name4-methyl-2-[(2-methylcyclopentyl)amino]pyrimidine-5-carboxylic acid
SMILESCc1nc(NC2CCCC2C)ncc1C(=O)O
InChIInChI=1S/C12H17N3O2/c1-7-4-3-5-10(7)15-12-13-6-9(11(16)17)8(2)14-12/h6-7,10H,3-5H2,1-2H3,(H,16,17)(H,13,14,15)
InChIKeyATSVIHBPFDKUPK-UHFFFAOYSA-N
XLogP2.08
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-[(2-methylcyclopentyl)methylamino]pyrimidine-5-carboxylic acid
CID 107418984
4-methyl-2-(thiolan-3-ylamino)pyrimidine-5-carboxylic acid
CID 103063365
2-(cyclopentylmethylamino)-4-methylpyrimidine-5-carboxylic acid
CID 83181809
2-(methoxyamino)-4-methylpyrimidine-5-carboxylic acid
CID 90980975
1,3-dimethyl-4-[(2-methylcyclopentyl)amino]pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 115937632
2-[cyclopropyl(methyl)amino]-4-methylpyrimidine-5-carboxylic acid
CID 83181070
5-methyl-N-(2-methylcyclohexyl)pyrimidin-2-amine
CID 63208068
5-chloro-2-[(2-methylcyclopentyl)amino]pyridine-4-carboxylic acid
CID 114919638
4-methyl-2-[2-(3-methylcyclohexyl)ethylamino]pyrimidine-5-carboxylic acid
CID 83181984
2-N-(2-methylcyclopentyl)pyrimidine-2,5-diamine
CID 63278142
4-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyrimidine-5-carboxylic acid
CID 83178304
2-[2-[cyclopentyl(methyl)amino]ethylamino]-4-methylpyrimidine-5-carboxylic acid
CID 83181981

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2-methylcyclopentyl)amino]pyrimidine-5-carboxylic acid?
The IUPAC name of 4-methyl-2-[(2-methylcyclopentyl)amino]pyrimidine-5-carboxylic acid (CID 83181541) is 4-methyl-2-[(2-methylcyclopentyl)amino]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[(2-methylcyclopentyl)amino]pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-[(2-methylcyclopentyl)amino]pyrimidine-5-carboxylic acid is Cc1nc(NC2CCCC2C)ncc1C(=O)O.
What is the InChIKey of 4-methyl-2-[(2-methylcyclopentyl)amino]pyrimidine-5-carboxylic acid?
The InChIKey is ATSVIHBPFDKUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-7-4-3-5-10(7)15-12-13-6-9(11(16)17)8(2)14-12/h6-7,10H,3-5H2,1-2H3,(H,16,17)(H,13,14,15).
What are the key properties of 4-methyl-2-[(2-methylcyclopentyl)amino]pyrimidine-5-carboxylic acid?
4-methyl-2-[(2-methylcyclopentyl)amino]pyrimidine-5-carboxylic acid has a molecular weight of 235.29 g/mol, XLogP of 2.08, 3 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)amino]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 83181541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).