5-phenyl-4-(1H-pyrrol-3-yl)pyrimidin-2-amine

C14H12N4 — CID 90945303

IUPAC5-phenyl-4-(1H-pyrrol-3-yl)pyrimidin-2-amine
SMILESNc1ncc(-c2ccccc2)c(-c2cc[nH]c2)n1
InChIInChI=1S/C14H12N4/c15-14-17-9-12(10-4-2-1-3-5-10)13(18-14)11-6-7-16-8-11/h1-9,16H,(H2,15,17,18)
InChIKeyIMKHLKFPXCNUQZ-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.72
Rot. Bonds2

About 5-phenyl-4-(1H-pyrrol-3-yl)pyrimidin-2-amine

5-phenyl-4-(1H-pyrrol-3-yl)pyrimidin-2-amine (PubChem CID 90945303) has the molecular formula C14H12N4 and a molecular weight of 236.28 g/mol. Its IUPAC name is 5-phenyl-4-(1H-pyrrol-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-phenyl-4-(1H-pyrrol-3-yl)pyrimidin-2-amine
PubChem CID90945303
Molecular FormulaC14H12N4
Molecular Weight236.28 g/mol
Exact Mass236.11
IUPAC Name5-phenyl-4-(1H-pyrrol-3-yl)pyrimidin-2-amine
SMILESNc1ncc(-c2ccccc2)c(-c2cc[nH]c2)n1
InChIInChI=1S/C14H12N4/c15-14-17-9-12(10-4-2-1-3-5-10)13(18-14)11-6-7-16-8-11/h1-9,16H,(H2,15,17,18)
InChIKeyIMKHLKFPXCNUQZ-UHFFFAOYSA-N
XLogP2.72
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-phenyl-4-(1H-pyrrol-3-yl)pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-4-(1H-pyrrol-3-yl)pyrimidin-2-amine?
The IUPAC name of 5-phenyl-4-(1H-pyrrol-3-yl)pyrimidin-2-amine (CID 90945303) is 5-phenyl-4-(1H-pyrrol-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-phenyl-4-(1H-pyrrol-3-yl)pyrimidin-2-amine?
The canonical SMILES for 5-phenyl-4-(1H-pyrrol-3-yl)pyrimidin-2-amine is Nc1ncc(-c2ccccc2)c(-c2cc[nH]c2)n1.
What is the InChIKey of 5-phenyl-4-(1H-pyrrol-3-yl)pyrimidin-2-amine?
The InChIKey is IMKHLKFPXCNUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4/c15-14-17-9-12(10-4-2-1-3-5-10)13(18-14)11-6-7-16-8-11/h1-9,16H,(H2,15,17,18).
What are the key properties of 5-phenyl-4-(1H-pyrrol-3-yl)pyrimidin-2-amine?
5-phenyl-4-(1H-pyrrol-3-yl)pyrimidin-2-amine has a molecular weight of 236.28 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-4-(1H-pyrrol-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 90945303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).