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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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).