1-benzyl-N-methylpyrimidin-2-imine

C12H13N3 — CID 134112913

IUPAC1-benzyl-N-methylpyrimidin-2-imine
SMILESC/N=c1\ncccn1Cc1ccccc1
InChIInChI=1S/C12H13N3/c1-13-12-14-8-5-9-15(12)10-11-6-3-2-4-7-11/h2-9H,10H2,1H3/b13-12+
InChIKeyQMTADOXIIGLFLQ-OUKQBFOZSA-N
MW199.26 g/mol
LogP1.46
Rot. Bonds2

About 1-benzyl-N-methylpyrimidin-2-imine

1-benzyl-N-methylpyrimidin-2-imine (PubChem CID 134112913) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 1-benzyl-N-methylpyrimidin-2-imine.

Molecular Properties

Compound Name1-benzyl-N-methylpyrimidin-2-imine
PubChem CID134112913
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name1-benzyl-N-methylpyrimidin-2-imine
SMILESC/N=c1\ncccn1Cc1ccccc1
InChIInChI=1S/C12H13N3/c1-13-12-14-8-5-9-15(12)10-11-6-3-2-4-7-11/h2-9H,10H2,1H3/b13-12+
InChIKeyQMTADOXIIGLFLQ-OUKQBFOZSA-N
XLogP1.46
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-methylpyrimidin-2-imine?
The IUPAC name of 1-benzyl-N-methylpyrimidin-2-imine (CID 134112913) is 1-benzyl-N-methylpyrimidin-2-imine.
What is the SMILES notation for 1-benzyl-N-methylpyrimidin-2-imine?
The canonical SMILES for 1-benzyl-N-methylpyrimidin-2-imine is C/N=c1\ncccn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-methylpyrimidin-2-imine?
The InChIKey is QMTADOXIIGLFLQ-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H13N3/c1-13-12-14-8-5-9-15(12)10-11-6-3-2-4-7-11/h2-9H,10H2,1H3/b13-12+.
What are the key properties of 1-benzyl-N-methylpyrimidin-2-imine?
1-benzyl-N-methylpyrimidin-2-imine has a molecular weight of 199.26 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-methylpyrimidin-2-imine is sourced from PubChem (CID 134112913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).