2-ethyl-5-phenylpyrimidin-4-amine

C12H13N3 — CID 62900948

IUPAC2-ethyl-5-phenylpyrimidin-4-amine
SMILESCCc1ncc(-c2ccccc2)c(N)n1
InChIInChI=1S/C12H13N3/c1-2-11-14-8-10(12(13)15-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H2,13,14,15)
InChIKeyCLNQJZONMXAEBW-UHFFFAOYSA-N
MW199.26 g/mol
LogP2.29
Rot. Bonds2

About 2-ethyl-5-phenylpyrimidin-4-amine

2-ethyl-5-phenylpyrimidin-4-amine (PubChem CID 62900948) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 2-ethyl-5-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-5-phenylpyrimidin-4-amine
PubChem CID62900948
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name2-ethyl-5-phenylpyrimidin-4-amine
SMILESCCc1ncc(-c2ccccc2)c(N)n1
InChIInChI=1S/C12H13N3/c1-2-11-14-8-10(12(13)15-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H2,13,14,15)
InChIKeyCLNQJZONMXAEBW-UHFFFAOYSA-N
XLogP2.29
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-5-phenylpyrimidin-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-ethyl-5-phenylpyrimidin-4-amine?
The IUPAC name of 2-ethyl-5-phenylpyrimidin-4-amine (CID 62900948) is 2-ethyl-5-phenylpyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-5-phenylpyrimidin-4-amine?
The canonical SMILES for 2-ethyl-5-phenylpyrimidin-4-amine is CCc1ncc(-c2ccccc2)c(N)n1.
What is the InChIKey of 2-ethyl-5-phenylpyrimidin-4-amine?
The InChIKey is CLNQJZONMXAEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c1-2-11-14-8-10(12(13)15-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H2,13,14,15).
What are the key properties of 2-ethyl-5-phenylpyrimidin-4-amine?
2-ethyl-5-phenylpyrimidin-4-amine has a molecular weight of 199.26 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-phenylpyrimidin-4-amine is sourced from PubChem (CID 62900948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).