2-(cyclopentylamino)-4-methylpyrimidine-5-carboxylic acid

C11H15N3O2 — CID 66489787

IUPAC2-(cyclopentylamino)-4-methylpyrimidine-5-carboxylic acid
SMILESCc1nc(NC2CCCC2)ncc1C(=O)O
InChIInChI=1S/C11H15N3O2/c1-7-9(10(15)16)6-12-11(13-7)14-8-4-2-3-5-8/h6,8H,2-5H2,1H3,(H,15,16)(H,12,13,14)
InChIKeyJAHXWODMNWGZPR-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.84
Rot. Bonds3

About 2-(cyclopentylamino)-4-methylpyrimidine-5-carboxylic acid

2-(cyclopentylamino)-4-methylpyrimidine-5-carboxylic acid (PubChem CID 66489787) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-(cyclopentylamino)-4-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(cyclopentylamino)-4-methylpyrimidine-5-carboxylic acid
PubChem CID66489787
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-(cyclopentylamino)-4-methylpyrimidine-5-carboxylic acid
SMILESCc1nc(NC2CCCC2)ncc1C(=O)O
InChIInChI=1S/C11H15N3O2/c1-7-9(10(15)16)6-12-11(13-7)14-8-4-2-3-5-8/h6,8H,2-5H2,1H3,(H,15,16)(H,12,13,14)
InChIKeyJAHXWODMNWGZPR-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-4-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-(cyclopentylamino)-4-methylpyrimidine-5-carboxylic acid (CID 66489787) is 2-(cyclopentylamino)-4-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(cyclopentylamino)-4-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(cyclopentylamino)-4-methylpyrimidine-5-carboxylic acid is Cc1nc(NC2CCCC2)ncc1C(=O)O.
What is the InChIKey of 2-(cyclopentylamino)-4-methylpyrimidine-5-carboxylic acid?
The InChIKey is JAHXWODMNWGZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-7-9(10(15)16)6-12-11(13-7)14-8-4-2-3-5-8/h6,8H,2-5H2,1H3,(H,15,16)(H,12,13,14).
What are the key properties of 2-(cyclopentylamino)-4-methylpyrimidine-5-carboxylic acid?
2-(cyclopentylamino)-4-methylpyrimidine-5-carboxylic acid has a molecular weight of 221.26 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-4-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 66489787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).