N-benzyl-1-methylpyrimidin-2-imine

C12H13N3 — CID 171383962

IUPACN-benzyl-1-methylpyrimidin-2-imine
SMILESCn1cccn/c1=N\Cc1ccccc1
InChIInChI=1S/C12H13N3/c1-15-9-5-8-13-12(15)14-10-11-6-3-2-4-7-11/h2-9H,10H2,1H3/b14-12+
InChIKeyLYBHBTARORLEEW-WYMLVPIESA-N
MW199.26 g/mol
LogP1.52
Rot. Bonds2

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

N-benzyl-1-methylpyrimidin-2-imine (PubChem CID 171383962) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is N-benzyl-1-methylpyrimidin-2-imine.

Molecular Properties

Compound NameN-benzyl-1-methylpyrimidin-2-imine
PubChem CID171383962
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC NameN-benzyl-1-methylpyrimidin-2-imine
SMILESCn1cccn/c1=N\Cc1ccccc1
InChIInChI=1S/C12H13N3/c1-15-9-5-8-13-12(15)14-10-11-6-3-2-4-7-11/h2-9H,10H2,1H3/b14-12+
InChIKeyLYBHBTARORLEEW-WYMLVPIESA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-methylpyrimidin-2-imine?
The IUPAC name of N-benzyl-1-methylpyrimidin-2-imine (CID 171383962) is N-benzyl-1-methylpyrimidin-2-imine.
What is the SMILES notation for N-benzyl-1-methylpyrimidin-2-imine?
The canonical SMILES for N-benzyl-1-methylpyrimidin-2-imine is Cn1cccn/c1=N\Cc1ccccc1.
What is the InChIKey of N-benzyl-1-methylpyrimidin-2-imine?
The InChIKey is LYBHBTARORLEEW-WYMLVPIESA-N. The full InChI is InChI=1S/C12H13N3/c1-15-9-5-8-13-12(15)14-10-11-6-3-2-4-7-11/h2-9H,10H2,1H3/b14-12+.
What are the key properties of N-benzyl-1-methylpyrimidin-2-imine?
N-benzyl-1-methylpyrimidin-2-imine has a molecular weight of 199.26 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-methylpyrimidin-2-imine is sourced from PubChem (CID 171383962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).