2-(cyclopentylamino)-4-propan-2-ylpyrimidine-5-carboxylic acid

C13H19N3O2 — CID 91888351

IUPAC2-(cyclopentylamino)-4-propan-2-ylpyrimidine-5-carboxylic acid
SMILESCC(C)c1nc(NC2CCCC2)ncc1C(=O)O
InChIInChI=1S/C13H19N3O2/c1-8(2)11-10(12(17)18)7-14-13(16-11)15-9-5-3-4-6-9/h7-9H,3-6H2,1-2H3,(H,17,18)(H,14,15,16)
InChIKeyFFUWOCPMCWKQRS-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.65
Rot. Bonds4

About 2-(cyclopentylamino)-4-propan-2-ylpyrimidine-5-carboxylic acid

2-(cyclopentylamino)-4-propan-2-ylpyrimidine-5-carboxylic acid (PubChem CID 91888351) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(cyclopentylamino)-4-propan-2-ylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(cyclopentylamino)-4-propan-2-ylpyrimidine-5-carboxylic acid
PubChem CID91888351
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-(cyclopentylamino)-4-propan-2-ylpyrimidine-5-carboxylic acid
SMILESCC(C)c1nc(NC2CCCC2)ncc1C(=O)O
InChIInChI=1S/C13H19N3O2/c1-8(2)11-10(12(17)18)7-14-13(16-11)15-9-5-3-4-6-9/h7-9H,3-6H2,1-2H3,(H,17,18)(H,14,15,16)
InChIKeyFFUWOCPMCWKQRS-UHFFFAOYSA-N
XLogP2.65
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-4-propan-2-ylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-(cyclopentylamino)-4-propan-2-ylpyrimidine-5-carboxylic acid (CID 91888351) is 2-(cyclopentylamino)-4-propan-2-ylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(cyclopentylamino)-4-propan-2-ylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(cyclopentylamino)-4-propan-2-ylpyrimidine-5-carboxylic acid is CC(C)c1nc(NC2CCCC2)ncc1C(=O)O.
What is the InChIKey of 2-(cyclopentylamino)-4-propan-2-ylpyrimidine-5-carboxylic acid?
The InChIKey is FFUWOCPMCWKQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-8(2)11-10(12(17)18)7-14-13(16-11)15-9-5-3-4-6-9/h7-9H,3-6H2,1-2H3,(H,17,18)(H,14,15,16).
What are the key properties of 2-(cyclopentylamino)-4-propan-2-ylpyrimidine-5-carboxylic acid?
2-(cyclopentylamino)-4-propan-2-ylpyrimidine-5-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-4-propan-2-ylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 91888351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).