2-(cyclopent-3-en-1-ylamino)-6-methylpyrimidine-4-carbonitrile

C11H12N4 — CID 107545212

IUPAC2-(cyclopent-3-en-1-ylamino)-6-methylpyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(NC2CC=CC2)n1
InChIInChI=1S/C11H12N4/c1-8-6-10(7-12)15-11(13-8)14-9-4-2-3-5-9/h2-3,6,9H,4-5H2,1H3,(H,13,14,15)
InChIKeyFOIDJPJBKMJQFY-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.79
Rot. Bonds2

About 2-(cyclopent-3-en-1-ylamino)-6-methylpyrimidine-4-carbonitrile

2-(cyclopent-3-en-1-ylamino)-6-methylpyrimidine-4-carbonitrile (PubChem CID 107545212) has the molecular formula C11H12N4 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-(cyclopent-3-en-1-ylamino)-6-methylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-(cyclopent-3-en-1-ylamino)-6-methylpyrimidine-4-carbonitrile
PubChem CID107545212
Molecular FormulaC11H12N4
Molecular Weight200.24 g/mol
Exact Mass200.11
IUPAC Name2-(cyclopent-3-en-1-ylamino)-6-methylpyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(NC2CC=CC2)n1
InChIInChI=1S/C11H12N4/c1-8-6-10(7-12)15-11(13-8)14-9-4-2-3-5-9/h2-3,6,9H,4-5H2,1H3,(H,13,14,15)
InChIKeyFOIDJPJBKMJQFY-UHFFFAOYSA-N
XLogP1.79
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopent-3-en-1-ylamino)-6-methylpyrimidine-4-carbonitrile?
The IUPAC name of 2-(cyclopent-3-en-1-ylamino)-6-methylpyrimidine-4-carbonitrile (CID 107545212) is 2-(cyclopent-3-en-1-ylamino)-6-methylpyrimidine-4-carbonitrile.
What is the SMILES notation for 2-(cyclopent-3-en-1-ylamino)-6-methylpyrimidine-4-carbonitrile?
The canonical SMILES for 2-(cyclopent-3-en-1-ylamino)-6-methylpyrimidine-4-carbonitrile is Cc1cc(C#N)nc(NC2CC=CC2)n1.
What is the InChIKey of 2-(cyclopent-3-en-1-ylamino)-6-methylpyrimidine-4-carbonitrile?
The InChIKey is FOIDJPJBKMJQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4/c1-8-6-10(7-12)15-11(13-8)14-9-4-2-3-5-9/h2-3,6,9H,4-5H2,1H3,(H,13,14,15).
What are the key properties of 2-(cyclopent-3-en-1-ylamino)-6-methylpyrimidine-4-carbonitrile?
2-(cyclopent-3-en-1-ylamino)-6-methylpyrimidine-4-carbonitrile has a molecular weight of 200.24 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopent-3-en-1-ylamino)-6-methylpyrimidine-4-carbonitrile is sourced from PubChem (CID 107545212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).