(2-benzylpyrimidin-4-yl)methanamine

C12H13N3 — CID 62748253

IUPAC(2-benzylpyrimidin-4-yl)methanamine
SMILESNCc1ccnc(Cc2ccccc2)n1
InChIInChI=1S/C12H13N3/c13-9-11-6-7-14-12(15-11)8-10-4-2-1-3-5-10/h1-7H,8-9,13H2
InChIKeyAYDLUUJKJFQILG-UHFFFAOYSA-N
MW199.26 g/mol
LogP1.53
Rot. Bonds3

About (2-benzylpyrimidin-4-yl)methanamine

(2-benzylpyrimidin-4-yl)methanamine (PubChem CID 62748253) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is (2-benzylpyrimidin-4-yl)methanamine.

Molecular Properties

Compound Name(2-benzylpyrimidin-4-yl)methanamine
PubChem CID62748253
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name(2-benzylpyrimidin-4-yl)methanamine
SMILESNCc1ccnc(Cc2ccccc2)n1
InChIInChI=1S/C12H13N3/c13-9-11-6-7-14-12(15-11)8-10-4-2-1-3-5-10/h1-7H,8-9,13H2
InChIKeyAYDLUUJKJFQILG-UHFFFAOYSA-N
XLogP1.53
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-benzylpyrimidin-4-yl)methanamine?
The IUPAC name of (2-benzylpyrimidin-4-yl)methanamine (CID 62748253) is (2-benzylpyrimidin-4-yl)methanamine.
What is the SMILES notation for (2-benzylpyrimidin-4-yl)methanamine?
The canonical SMILES for (2-benzylpyrimidin-4-yl)methanamine is NCc1ccnc(Cc2ccccc2)n1.
What is the InChIKey of (2-benzylpyrimidin-4-yl)methanamine?
The InChIKey is AYDLUUJKJFQILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c13-9-11-6-7-14-12(15-11)8-10-4-2-1-3-5-10/h1-7H,8-9,13H2.
What are the key properties of (2-benzylpyrimidin-4-yl)methanamine?
(2-benzylpyrimidin-4-yl)methanamine has a molecular weight of 199.26 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzylpyrimidin-4-yl)methanamine is sourced from PubChem (CID 62748253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).