N-[(2-methylpyrimidin-4-yl)methyl]-2-phenylaniline

C18H17N3 — CID 62749101

IUPACN-[(2-methylpyrimidin-4-yl)methyl]-2-phenylaniline
SMILESCc1nccc(CNc2ccccc2-c2ccccc2)n1
InChIInChI=1S/C18H17N3/c1-14-19-12-11-16(21-14)13-20-18-10-6-5-9-17(18)15-7-3-2-4-8-15/h2-12,20H,13H2,1H3
InChIKeyFEOVQYHRJBXLSQ-UHFFFAOYSA-N
MW275.36 g/mol
LogP4.06
Rot. Bonds4

About N-[(2-methylpyrimidin-4-yl)methyl]-2-phenylaniline

N-[(2-methylpyrimidin-4-yl)methyl]-2-phenylaniline (PubChem CID 62749101) has the molecular formula C18H17N3 and a molecular weight of 275.36 g/mol. Its IUPAC name is N-[(2-methylpyrimidin-4-yl)methyl]-2-phenylaniline.

Molecular Properties

Compound NameN-[(2-methylpyrimidin-4-yl)methyl]-2-phenylaniline
PubChem CID62749101
Molecular FormulaC18H17N3
Molecular Weight275.36 g/mol
Exact Mass275.14
IUPAC NameN-[(2-methylpyrimidin-4-yl)methyl]-2-phenylaniline
SMILESCc1nccc(CNc2ccccc2-c2ccccc2)n1
InChIInChI=1S/C18H17N3/c1-14-19-12-11-16(21-14)13-20-18-10-6-5-9-17(18)15-7-3-2-4-8-15/h2-12,20H,13H2,1H3
InChIKeyFEOVQYHRJBXLSQ-UHFFFAOYSA-N
XLogP4.06
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-methylpyrimidin-4-yl)methyl]-2-phenylaniline 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-methylpyrimidin-4-yl)methyl]-2-phenylaniline?
The IUPAC name of N-[(2-methylpyrimidin-4-yl)methyl]-2-phenylaniline (CID 62749101) is N-[(2-methylpyrimidin-4-yl)methyl]-2-phenylaniline.
What is the SMILES notation for N-[(2-methylpyrimidin-4-yl)methyl]-2-phenylaniline?
The canonical SMILES for N-[(2-methylpyrimidin-4-yl)methyl]-2-phenylaniline is Cc1nccc(CNc2ccccc2-c2ccccc2)n1.
What is the InChIKey of N-[(2-methylpyrimidin-4-yl)methyl]-2-phenylaniline?
The InChIKey is FEOVQYHRJBXLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3/c1-14-19-12-11-16(21-14)13-20-18-10-6-5-9-17(18)15-7-3-2-4-8-15/h2-12,20H,13H2,1H3.
What are the key properties of N-[(2-methylpyrimidin-4-yl)methyl]-2-phenylaniline?
N-[(2-methylpyrimidin-4-yl)methyl]-2-phenylaniline has a molecular weight of 275.36 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrimidin-4-yl)methyl]-2-phenylaniline is sourced from PubChem (CID 62749101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).