4-[5-(2,3-difluorophenyl)-1H-pyrrol-2-yl]pyrimidin-2-amine

C14H10F2N4 — CID 71042713

IUPAC4-[5-(2,3-difluorophenyl)-1H-pyrrol-2-yl]pyrimidin-2-amine
SMILESNc1nccc(-c2ccc(-c3cccc(F)c3F)[nH]2)n1
InChIInChI=1S/C14H10F2N4/c15-9-3-1-2-8(13(9)16)10-4-5-11(19-10)12-6-7-18-14(17)20-12/h1-7,19H,(H2,17,18,20)
InChIKeyGGGSHWMLNOQSLF-UHFFFAOYSA-N
MW272.26 g/mol
LogP3.00
Rot. Bonds2

About 4-[5-(2,3-difluorophenyl)-1H-pyrrol-2-yl]pyrimidin-2-amine

4-[5-(2,3-difluorophenyl)-1H-pyrrol-2-yl]pyrimidin-2-amine (PubChem CID 71042713) has the molecular formula C14H10F2N4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 4-[5-(2,3-difluorophenyl)-1H-pyrrol-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[5-(2,3-difluorophenyl)-1H-pyrrol-2-yl]pyrimidin-2-amine
PubChem CID71042713
Molecular FormulaC14H10F2N4
Molecular Weight272.26 g/mol
Exact Mass272.09
IUPAC Name4-[5-(2,3-difluorophenyl)-1H-pyrrol-2-yl]pyrimidin-2-amine
SMILESNc1nccc(-c2ccc(-c3cccc(F)c3F)[nH]2)n1
InChIInChI=1S/C14H10F2N4/c15-9-3-1-2-8(13(9)16)10-4-5-11(19-10)12-6-7-18-14(17)20-12/h1-7,19H,(H2,17,18,20)
InChIKeyGGGSHWMLNOQSLF-UHFFFAOYSA-N
XLogP3.00
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[5-(2,3-difluorophenyl)-1H-pyrrol-2-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 4-[5-(2,3-difluorophenyl)-1H-pyrrol-2-yl]pyrimidin-2-amine?
The IUPAC name of 4-[5-(2,3-difluorophenyl)-1H-pyrrol-2-yl]pyrimidin-2-amine (CID 71042713) is 4-[5-(2,3-difluorophenyl)-1H-pyrrol-2-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[5-(2,3-difluorophenyl)-1H-pyrrol-2-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[5-(2,3-difluorophenyl)-1H-pyrrol-2-yl]pyrimidin-2-amine is Nc1nccc(-c2ccc(-c3cccc(F)c3F)[nH]2)n1.
What is the InChIKey of 4-[5-(2,3-difluorophenyl)-1H-pyrrol-2-yl]pyrimidin-2-amine?
The InChIKey is GGGSHWMLNOQSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N4/c15-9-3-1-2-8(13(9)16)10-4-5-11(19-10)12-6-7-18-14(17)20-12/h1-7,19H,(H2,17,18,20).
What are the key properties of 4-[5-(2,3-difluorophenyl)-1H-pyrrol-2-yl]pyrimidin-2-amine?
4-[5-(2,3-difluorophenyl)-1H-pyrrol-2-yl]pyrimidin-2-amine has a molecular weight of 272.26 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2,3-difluorophenyl)-1H-pyrrol-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 71042713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).