2-[(4-ethylphenyl)methyl]pyrimidin-4-amine

C13H15N3 — CID 82284409

IUPAC2-[(4-ethylphenyl)methyl]pyrimidin-4-amine
SMILESCCc1ccc(Cc2nccc(N)n2)cc1
InChIInChI=1S/C13H15N3/c1-2-10-3-5-11(6-4-10)9-13-15-8-7-12(14)16-13/h3-8H,2,9H2,1H3,(H2,14,15,16)
InChIKeyARMZOLQHCFYNGT-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.21
Rot. Bonds3

About 2-[(4-ethylphenyl)methyl]pyrimidin-4-amine

2-[(4-ethylphenyl)methyl]pyrimidin-4-amine (PubChem CID 82284409) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-[(4-ethylphenyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(4-ethylphenyl)methyl]pyrimidin-4-amine
PubChem CID82284409
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name2-[(4-ethylphenyl)methyl]pyrimidin-4-amine
SMILESCCc1ccc(Cc2nccc(N)n2)cc1
InChIInChI=1S/C13H15N3/c1-2-10-3-5-11(6-4-10)9-13-15-8-7-12(14)16-13/h3-8H,2,9H2,1H3,(H2,14,15,16)
InChIKeyARMZOLQHCFYNGT-UHFFFAOYSA-N
XLogP2.21
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(4-ethylphenyl)methyl]pyrimidin-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 2-[(4-ethylphenyl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-[(4-ethylphenyl)methyl]pyrimidin-4-amine (CID 82284409) is 2-[(4-ethylphenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-[(4-ethylphenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-[(4-ethylphenyl)methyl]pyrimidin-4-amine is CCc1ccc(Cc2nccc(N)n2)cc1.
What is the InChIKey of 2-[(4-ethylphenyl)methyl]pyrimidin-4-amine?
The InChIKey is ARMZOLQHCFYNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-2-10-3-5-11(6-4-10)9-13-15-8-7-12(14)16-13/h3-8H,2,9H2,1H3,(H2,14,15,16).
What are the key properties of 2-[(4-ethylphenyl)methyl]pyrimidin-4-amine?
2-[(4-ethylphenyl)methyl]pyrimidin-4-amine has a molecular weight of 213.28 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylphenyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 82284409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).