(2-naphthalen-2-ylpyrimidin-4-yl)methanamine

C15H13N3 — CID 62749153

IUPAC(2-naphthalen-2-ylpyrimidin-4-yl)methanamine
SMILESNCc1ccnc(-c2ccc3ccccc3c2)n1
InChIInChI=1S/C15H13N3/c16-10-14-7-8-17-15(18-14)13-6-5-11-3-1-2-4-12(11)9-13/h1-9H,10,16H2
InChIKeyQYZGGYMTIJZKBG-UHFFFAOYSA-N
MW235.29 g/mol
LogP2.76
Rot. Bonds2

About (2-naphthalen-2-ylpyrimidin-4-yl)methanamine

(2-naphthalen-2-ylpyrimidin-4-yl)methanamine (PubChem CID 62749153) has the molecular formula C15H13N3 and a molecular weight of 235.29 g/mol. Its IUPAC name is (2-naphthalen-2-ylpyrimidin-4-yl)methanamine.

Molecular Properties

Compound Name(2-naphthalen-2-ylpyrimidin-4-yl)methanamine
PubChem CID62749153
Molecular FormulaC15H13N3
Molecular Weight235.29 g/mol
Exact Mass235.11
IUPAC Name(2-naphthalen-2-ylpyrimidin-4-yl)methanamine
SMILESNCc1ccnc(-c2ccc3ccccc3c2)n1
InChIInChI=1S/C15H13N3/c16-10-14-7-8-17-15(18-14)13-6-5-11-3-1-2-4-12(11)9-13/h1-9H,10,16H2
InChIKeyQYZGGYMTIJZKBG-UHFFFAOYSA-N
XLogP2.76
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-naphthalen-2-ylpyrimidin-4-yl)methanamine?
The IUPAC name of (2-naphthalen-2-ylpyrimidin-4-yl)methanamine (CID 62749153) is (2-naphthalen-2-ylpyrimidin-4-yl)methanamine.
What is the SMILES notation for (2-naphthalen-2-ylpyrimidin-4-yl)methanamine?
The canonical SMILES for (2-naphthalen-2-ylpyrimidin-4-yl)methanamine is NCc1ccnc(-c2ccc3ccccc3c2)n1.
What is the InChIKey of (2-naphthalen-2-ylpyrimidin-4-yl)methanamine?
The InChIKey is QYZGGYMTIJZKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3/c16-10-14-7-8-17-15(18-14)13-6-5-11-3-1-2-4-12(11)9-13/h1-9H,10,16H2.
What are the key properties of (2-naphthalen-2-ylpyrimidin-4-yl)methanamine?
(2-naphthalen-2-ylpyrimidin-4-yl)methanamine has a molecular weight of 235.29 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-naphthalen-2-ylpyrimidin-4-yl)methanamine is sourced from PubChem (CID 62749153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).