2-[4-(4-ethylphenyl)pyrimidin-2-yl]-N-methylbutan-1-amine

C17H23N3 — CID 116903413

IUPAC2-[4-(4-ethylphenyl)pyrimidin-2-yl]-N-methylbutan-1-amine
SMILESCCc1ccc(-c2ccnc(C(CC)CNC)n2)cc1
InChIInChI=1S/C17H23N3/c1-4-13-6-8-15(9-7-13)16-10-11-19-17(20-16)14(5-2)12-18-3/h6-11,14,18H,4-5,12H2,1-3H3
InChIKeyVSMAWGPABCOWGE-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.42
Rot. Bonds6

About 2-[4-(4-ethylphenyl)pyrimidin-2-yl]-N-methylbutan-1-amine

2-[4-(4-ethylphenyl)pyrimidin-2-yl]-N-methylbutan-1-amine (PubChem CID 116903413) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-[4-(4-ethylphenyl)pyrimidin-2-yl]-N-methylbutan-1-amine.

Molecular Properties

Compound Name2-[4-(4-ethylphenyl)pyrimidin-2-yl]-N-methylbutan-1-amine
PubChem CID116903413
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name2-[4-(4-ethylphenyl)pyrimidin-2-yl]-N-methylbutan-1-amine
SMILESCCc1ccc(-c2ccnc(C(CC)CNC)n2)cc1
InChIInChI=1S/C17H23N3/c1-4-13-6-8-15(9-7-13)16-10-11-19-17(20-16)14(5-2)12-18-3/h6-11,14,18H,4-5,12H2,1-3H3
InChIKeyVSMAWGPABCOWGE-UHFFFAOYSA-N
XLogP3.42
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(4-ethylphenyl)pyrimidin-2-yl]-N-methylbutan-1-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-(4-ethylphenyl)pyrimidin-2-yl]-N-methylbutan-1-amine?
The IUPAC name of 2-[4-(4-ethylphenyl)pyrimidin-2-yl]-N-methylbutan-1-amine (CID 116903413) is 2-[4-(4-ethylphenyl)pyrimidin-2-yl]-N-methylbutan-1-amine.
What is the SMILES notation for 2-[4-(4-ethylphenyl)pyrimidin-2-yl]-N-methylbutan-1-amine?
The canonical SMILES for 2-[4-(4-ethylphenyl)pyrimidin-2-yl]-N-methylbutan-1-amine is CCc1ccc(-c2ccnc(C(CC)CNC)n2)cc1.
What is the InChIKey of 2-[4-(4-ethylphenyl)pyrimidin-2-yl]-N-methylbutan-1-amine?
The InChIKey is VSMAWGPABCOWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-4-13-6-8-15(9-7-13)16-10-11-19-17(20-16)14(5-2)12-18-3/h6-11,14,18H,4-5,12H2,1-3H3.
What are the key properties of 2-[4-(4-ethylphenyl)pyrimidin-2-yl]-N-methylbutan-1-amine?
2-[4-(4-ethylphenyl)pyrimidin-2-yl]-N-methylbutan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethylphenyl)pyrimidin-2-yl]-N-methylbutan-1-amine is sourced from PubChem (CID 116903413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).