1-(2-methylpyrimidin-4-yl)-N-(naphthalen-1-ylmethyl)methanamine

C17H17N3 — CID 60960956

IUPAC1-(2-methylpyrimidin-4-yl)-N-(naphthalen-1-ylmethyl)methanamine
SMILESCc1nccc(CNCc2cccc3ccccc23)n1
InChIInChI=1S/C17H17N3/c1-13-19-10-9-16(20-13)12-18-11-15-7-4-6-14-5-2-3-8-17(14)15/h2-10,18H,11-12H2,1H3
InChIKeyQUZNRIDBJUEFCP-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.23
Rot. Bonds4

About 1-(2-methylpyrimidin-4-yl)-N-(naphthalen-1-ylmethyl)methanamine

1-(2-methylpyrimidin-4-yl)-N-(naphthalen-1-ylmethyl)methanamine (PubChem CID 60960956) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(2-methylpyrimidin-4-yl)-N-(naphthalen-1-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(2-methylpyrimidin-4-yl)-N-(naphthalen-1-ylmethyl)methanamine
PubChem CID60960956
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name1-(2-methylpyrimidin-4-yl)-N-(naphthalen-1-ylmethyl)methanamine
SMILESCc1nccc(CNCc2cccc3ccccc23)n1
InChIInChI=1S/C17H17N3/c1-13-19-10-9-16(20-13)12-18-11-15-7-4-6-14-5-2-3-8-17(14)15/h2-10,18H,11-12H2,1H3
InChIKeyQUZNRIDBJUEFCP-UHFFFAOYSA-N
XLogP3.23
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-methylpyrimidin-4-yl)-N-(naphthalen-1-ylmethyl)methanamine 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 1-(2-methylpyrimidin-4-yl)-N-(naphthalen-1-ylmethyl)methanamine?
The IUPAC name of 1-(2-methylpyrimidin-4-yl)-N-(naphthalen-1-ylmethyl)methanamine (CID 60960956) is 1-(2-methylpyrimidin-4-yl)-N-(naphthalen-1-ylmethyl)methanamine.
What is the SMILES notation for 1-(2-methylpyrimidin-4-yl)-N-(naphthalen-1-ylmethyl)methanamine?
The canonical SMILES for 1-(2-methylpyrimidin-4-yl)-N-(naphthalen-1-ylmethyl)methanamine is Cc1nccc(CNCc2cccc3ccccc23)n1.
What is the InChIKey of 1-(2-methylpyrimidin-4-yl)-N-(naphthalen-1-ylmethyl)methanamine?
The InChIKey is QUZNRIDBJUEFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-13-19-10-9-16(20-13)12-18-11-15-7-4-6-14-5-2-3-8-17(14)15/h2-10,18H,11-12H2,1H3.
What are the key properties of 1-(2-methylpyrimidin-4-yl)-N-(naphthalen-1-ylmethyl)methanamine?
1-(2-methylpyrimidin-4-yl)-N-(naphthalen-1-ylmethyl)methanamine has a molecular weight of 263.34 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrimidin-4-yl)-N-(naphthalen-1-ylmethyl)methanamine is sourced from PubChem (CID 60960956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).