N-(2,4-dimethylphenyl)-6-pyrazol-1-ylpyrimidin-4-amine

C15H15N5 — CID 796094

IUPACN-(2,4-dimethylphenyl)-6-pyrazol-1-ylpyrimidin-4-amine
SMILESCc1ccc(Nc2cc(-n3cccn3)ncn2)c(C)c1
InChIInChI=1S/C15H15N5/c1-11-4-5-13(12(2)8-11)19-14-9-15(17-10-16-14)20-7-3-6-18-20/h3-10H,1-2H3,(H,16,17,19)
InChIKeyHXWLVUBMMSIICE-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.02
Rot. Bonds3

About N-(2,4-dimethylphenyl)-6-pyrazol-1-ylpyrimidin-4-amine

N-(2,4-dimethylphenyl)-6-pyrazol-1-ylpyrimidin-4-amine (PubChem CID 796094) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-6-pyrazol-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-6-pyrazol-1-ylpyrimidin-4-amine
PubChem CID796094
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC NameN-(2,4-dimethylphenyl)-6-pyrazol-1-ylpyrimidin-4-amine
SMILESCc1ccc(Nc2cc(-n3cccn3)ncn2)c(C)c1
InChIInChI=1S/C15H15N5/c1-11-4-5-13(12(2)8-11)19-14-9-15(17-10-16-14)20-7-3-6-18-20/h3-10H,1-2H3,(H,16,17,19)
InChIKeyHXWLVUBMMSIICE-UHFFFAOYSA-N
XLogP3.02
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,4-dimethylphenyl)-6-pyrazol-1-ylpyrimidin-4-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 N-(2,4-dimethylphenyl)-6-pyrazol-1-ylpyrimidin-4-amine?
The IUPAC name of N-(2,4-dimethylphenyl)-6-pyrazol-1-ylpyrimidin-4-amine (CID 796094) is N-(2,4-dimethylphenyl)-6-pyrazol-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-(2,4-dimethylphenyl)-6-pyrazol-1-ylpyrimidin-4-amine?
The canonical SMILES for N-(2,4-dimethylphenyl)-6-pyrazol-1-ylpyrimidin-4-amine is Cc1ccc(Nc2cc(-n3cccn3)ncn2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-6-pyrazol-1-ylpyrimidin-4-amine?
The InChIKey is HXWLVUBMMSIICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c1-11-4-5-13(12(2)8-11)19-14-9-15(17-10-16-14)20-7-3-6-18-20/h3-10H,1-2H3,(H,16,17,19).
What are the key properties of N-(2,4-dimethylphenyl)-6-pyrazol-1-ylpyrimidin-4-amine?
N-(2,4-dimethylphenyl)-6-pyrazol-1-ylpyrimidin-4-amine has a molecular weight of 265.32 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-6-pyrazol-1-ylpyrimidin-4-amine is sourced from PubChem (CID 796094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).