1-benzyl-N-propan-2-ylpyrimidin-2-imine

C14H17N3 — CID 171383865

IUPAC1-benzyl-N-propan-2-ylpyrimidin-2-imine
SMILESCC(C)/N=c1\ncccn1Cc1ccccc1
InChIInChI=1S/C14H17N3/c1-12(2)16-14-15-9-6-10-17(14)11-13-7-4-3-5-8-13/h3-10,12H,11H2,1-2H3/b16-14+
InChIKeyIMOOAQCDMLZMME-JQIJEIRASA-N
MW227.31 g/mol
LogP2.24
Rot. Bonds3

About 1-benzyl-N-propan-2-ylpyrimidin-2-imine

1-benzyl-N-propan-2-ylpyrimidin-2-imine (PubChem CID 171383865) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-benzyl-N-propan-2-ylpyrimidin-2-imine.

Molecular Properties

Compound Name1-benzyl-N-propan-2-ylpyrimidin-2-imine
PubChem CID171383865
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name1-benzyl-N-propan-2-ylpyrimidin-2-imine
SMILESCC(C)/N=c1\ncccn1Cc1ccccc1
InChIInChI=1S/C14H17N3/c1-12(2)16-14-15-9-6-10-17(14)11-13-7-4-3-5-8-13/h3-10,12H,11H2,1-2H3/b16-14+
InChIKeyIMOOAQCDMLZMME-JQIJEIRASA-N
XLogP2.24
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-propan-2-ylpyrimidin-2-imine?
The IUPAC name of 1-benzyl-N-propan-2-ylpyrimidin-2-imine (CID 171383865) is 1-benzyl-N-propan-2-ylpyrimidin-2-imine.
What is the SMILES notation for 1-benzyl-N-propan-2-ylpyrimidin-2-imine?
The canonical SMILES for 1-benzyl-N-propan-2-ylpyrimidin-2-imine is CC(C)/N=c1\ncccn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-propan-2-ylpyrimidin-2-imine?
The InChIKey is IMOOAQCDMLZMME-JQIJEIRASA-N. The full InChI is InChI=1S/C14H17N3/c1-12(2)16-14-15-9-6-10-17(14)11-13-7-4-3-5-8-13/h3-10,12H,11H2,1-2H3/b16-14+.
What are the key properties of 1-benzyl-N-propan-2-ylpyrimidin-2-imine?
1-benzyl-N-propan-2-ylpyrimidin-2-imine has a molecular weight of 227.31 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-propan-2-ylpyrimidin-2-imine is sourced from PubChem (CID 171383865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).