2-[(1-methylcyclopentyl)amino]pyrimidine-4-carboxylic acid

C11H15N3O2 — CID 107553435

IUPAC2-[(1-methylcyclopentyl)amino]pyrimidine-4-carboxylic acid
SMILESCC1(Nc2nccc(C(=O)O)n2)CCCC1
InChIInChI=1S/C11H15N3O2/c1-11(5-2-3-6-11)14-10-12-7-4-8(13-10)9(15)16/h4,7H,2-3,5-6H2,1H3,(H,15,16)(H,12,13,14)
InChIKeyMJBXNDMQCSVVNH-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.92
Rot. Bonds3

About 2-[(1-methylcyclopentyl)amino]pyrimidine-4-carboxylic acid

2-[(1-methylcyclopentyl)amino]pyrimidine-4-carboxylic acid (PubChem CID 107553435) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-[(1-methylcyclopentyl)amino]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(1-methylcyclopentyl)amino]pyrimidine-4-carboxylic acid
PubChem CID107553435
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-[(1-methylcyclopentyl)amino]pyrimidine-4-carboxylic acid
SMILESCC1(Nc2nccc(C(=O)O)n2)CCCC1
InChIInChI=1S/C11H15N3O2/c1-11(5-2-3-6-11)14-10-12-7-4-8(13-10)9(15)16/h4,7H,2-3,5-6H2,1H3,(H,15,16)(H,12,13,14)
InChIKeyMJBXNDMQCSVVNH-UHFFFAOYSA-N
XLogP1.92
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-methylcyclopropyl)amino]pyrimidine-4-carboxylic acid
CID 107554402
2-(propan-2-ylamino)pyrimidine-4-carboxylic acid
CID 107553189
2-(cyclopentylamino)pyrimidine-4-carboxylic acid
CID 91076843
2-(2,2-dimethylhydrazinyl)pyrimidine-4-carboxylic acid
CID 107554298
2-[(1-methylcyclopentyl)amino]-1,3-thiazole-4-carboxylic acid
CID 80568615
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyrimidine-4-carboxylic acid
CID 107854803
2-(2-methyloxan-2-yl)pyrimidine-4-carboxylic acid
CID 80681647
2-(2-methylpropylamino)pyrimidine-4-carboxylic acid
CID 103689466
2-[(2-fluoro-3-methylbut-2-enyl)amino]pyrimidine-4-carboxylic acid
CID 167956665
2-(2,2-dimethylpyrrolidin-1-yl)pyrimidine-4-carboxylic acid
CID 107553924
2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyrimidine-4-carboxylic acid
CID 107553892
2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]pyrimidine-4-carboxylic acid
CID 107554116

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylcyclopentyl)amino]pyrimidine-4-carboxylic acid?
The IUPAC name of 2-[(1-methylcyclopentyl)amino]pyrimidine-4-carboxylic acid (CID 107553435) is 2-[(1-methylcyclopentyl)amino]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-[(1-methylcyclopentyl)amino]pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-[(1-methylcyclopentyl)amino]pyrimidine-4-carboxylic acid is CC1(Nc2nccc(C(=O)O)n2)CCCC1.
What is the InChIKey of 2-[(1-methylcyclopentyl)amino]pyrimidine-4-carboxylic acid?
The InChIKey is MJBXNDMQCSVVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-11(5-2-3-6-11)14-10-12-7-4-8(13-10)9(15)16/h4,7H,2-3,5-6H2,1H3,(H,15,16)(H,12,13,14).
What are the key properties of 2-[(1-methylcyclopentyl)amino]pyrimidine-4-carboxylic acid?
2-[(1-methylcyclopentyl)amino]pyrimidine-4-carboxylic acid has a molecular weight of 221.26 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylcyclopentyl)amino]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 107553435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).