1-ethyl-N-methylpyrimidin-2-imine

C7H11N3 — CID 142258453

IUPAC1-ethyl-N-methylpyrimidin-2-imine
SMILESCCn1cccn/c1=N\C
InChIInChI=1S/C7H11N3/c1-3-10-6-4-5-9-7(10)8-2/h4-6H,3H2,1-2H3/b8-7+
InChIKeyIMRBMVJXHAIYIP-BQYQJAHWSA-N
MW137.19 g/mol
LogP0.43
Rot. Bonds1

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

1-ethyl-N-methylpyrimidin-2-imine (PubChem CID 142258453) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 1-ethyl-N-methylpyrimidin-2-imine.

Molecular Properties

Compound Name1-ethyl-N-methylpyrimidin-2-imine
PubChem CID142258453
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name1-ethyl-N-methylpyrimidin-2-imine
SMILESCCn1cccn/c1=N\C
InChIInChI=1S/C7H11N3/c1-3-10-6-4-5-9-7(10)8-2/h4-6H,3H2,1-2H3/b8-7+
InChIKeyIMRBMVJXHAIYIP-BQYQJAHWSA-N
XLogP0.43
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 ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-methylpyrimidin-2-imine?
The IUPAC name of 1-ethyl-N-methylpyrimidin-2-imine (CID 142258453) is 1-ethyl-N-methylpyrimidin-2-imine.
What is the SMILES notation for 1-ethyl-N-methylpyrimidin-2-imine?
The canonical SMILES for 1-ethyl-N-methylpyrimidin-2-imine is CCn1cccn/c1=N\C.
What is the InChIKey of 1-ethyl-N-methylpyrimidin-2-imine?
The InChIKey is IMRBMVJXHAIYIP-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H11N3/c1-3-10-6-4-5-9-7(10)8-2/h4-6H,3H2,1-2H3/b8-7+.
What are the key properties of 1-ethyl-N-methylpyrimidin-2-imine?
1-ethyl-N-methylpyrimidin-2-imine has a molecular weight of 137.19 g/mol, XLogP of 0.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-methylpyrimidin-2-imine is sourced from PubChem (CID 142258453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).