5-pyrimidin-4-ylpyridin-2-amine

C9H8N4 — CID 130447007

IUPAC5-pyrimidin-4-ylpyridin-2-amine
SMILESNc1ccc(-c2ccncn2)cn1
InChIInChI=1S/C9H8N4/c10-9-2-1-7(5-12-9)8-3-4-11-6-13-8/h1-6H,(H2,10,12)
InChIKeyRNGNFHLYACFGNU-UHFFFAOYSA-N
MW172.19 g/mol
LogP1.12
Rot. Bonds1

About 5-pyrimidin-4-ylpyridin-2-amine

5-pyrimidin-4-ylpyridin-2-amine (PubChem CID 130447007) has the molecular formula C9H8N4 and a molecular weight of 172.19 g/mol. Its IUPAC name is 5-pyrimidin-4-ylpyridin-2-amine.

Molecular Properties

Compound Name5-pyrimidin-4-ylpyridin-2-amine
PubChem CID130447007
Molecular FormulaC9H8N4
Molecular Weight172.19 g/mol
Exact Mass172.07
IUPAC Name5-pyrimidin-4-ylpyridin-2-amine
SMILESNc1ccc(-c2ccncn2)cn1
InChIInChI=1S/C9H8N4/c10-9-2-1-7(5-12-9)8-3-4-11-6-13-8/h1-6H,(H2,10,12)
InChIKeyRNGNFHLYACFGNU-UHFFFAOYSA-N
XLogP1.12
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-pyrimidin-4-ylpyridin-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-pyrimidin-4-ylpyridin-2-amine?
The IUPAC name of 5-pyrimidin-4-ylpyridin-2-amine (CID 130447007) is 5-pyrimidin-4-ylpyridin-2-amine.
What is the SMILES notation for 5-pyrimidin-4-ylpyridin-2-amine?
The canonical SMILES for 5-pyrimidin-4-ylpyridin-2-amine is Nc1ccc(-c2ccncn2)cn1.
What is the InChIKey of 5-pyrimidin-4-ylpyridin-2-amine?
The InChIKey is RNGNFHLYACFGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4/c10-9-2-1-7(5-12-9)8-3-4-11-6-13-8/h1-6H,(H2,10,12).
What are the key properties of 5-pyrimidin-4-ylpyridin-2-amine?
5-pyrimidin-4-ylpyridin-2-amine has a molecular weight of 172.19 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrimidin-4-ylpyridin-2-amine is sourced from PubChem (CID 130447007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).