N-ethyl-1-methylpyrimidin-2-imine

C7H11N3 — CID 89030559

IUPACN-ethyl-1-methylpyrimidin-2-imine
SMILESCC/N=c1\ncccn1C
InChIInChI=1S/C7H11N3/c1-3-8-7-9-5-4-6-10(7)2/h4-6H,3H2,1-2H3/b8-7+
InChIKeyPYCWHXAAPOWKEE-BQYQJAHWSA-N
MW137.19 g/mol
LogP0.34
Rot. Bonds1

About N-ethyl-1-methylpyrimidin-2-imine

N-ethyl-1-methylpyrimidin-2-imine (PubChem CID 89030559) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is N-ethyl-1-methylpyrimidin-2-imine.

Molecular Properties

Compound NameN-ethyl-1-methylpyrimidin-2-imine
PubChem CID89030559
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC NameN-ethyl-1-methylpyrimidin-2-imine
SMILESCC/N=c1\ncccn1C
InChIInChI=1S/C7H11N3/c1-3-8-7-9-5-4-6-10(7)2/h4-6H,3H2,1-2H3/b8-7+
InChIKeyPYCWHXAAPOWKEE-BQYQJAHWSA-N
XLogP0.34
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methylpyrimidin-2-imine?
The IUPAC name of N-ethyl-1-methylpyrimidin-2-imine (CID 89030559) is N-ethyl-1-methylpyrimidin-2-imine.
What is the SMILES notation for N-ethyl-1-methylpyrimidin-2-imine?
The canonical SMILES for N-ethyl-1-methylpyrimidin-2-imine is CC/N=c1\ncccn1C.
What is the InChIKey of N-ethyl-1-methylpyrimidin-2-imine?
The InChIKey is PYCWHXAAPOWKEE-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H11N3/c1-3-8-7-9-5-4-6-10(7)2/h4-6H,3H2,1-2H3/b8-7+.
What are the key properties of N-ethyl-1-methylpyrimidin-2-imine?
N-ethyl-1-methylpyrimidin-2-imine has a molecular weight of 137.19 g/mol, XLogP of 0.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methylpyrimidin-2-imine is sourced from PubChem (CID 89030559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).