1-ethylpyrimidin-2-imine

C6H9N3 — CID 119098027

IUPAC1-ethylpyrimidin-2-imine
SMILES[H]/N=c1\ncccn1CC
InChIInChI=1S/C6H9N3/c1-2-9-5-3-4-8-6(9)7/h3-5,7H,2H2,1H3/b7-6+
InChIKeyHNNQIYXSTLIWEI-VOTSOKGWSA-N
MW123.16 g/mol
LogP0.38
Rot. Bonds1

About 1-ethylpyrimidin-2-imine

1-ethylpyrimidin-2-imine (PubChem CID 119098027) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is 1-ethylpyrimidin-2-imine.

Molecular Properties

Compound Name1-ethylpyrimidin-2-imine
PubChem CID119098027
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name1-ethylpyrimidin-2-imine
SMILES[H]/N=c1\ncccn1CC
InChIInChI=1S/C6H9N3/c1-2-9-5-3-4-8-6(9)7/h3-5,7H,2H2,1H3/b7-6+
InChIKeyHNNQIYXSTLIWEI-VOTSOKGWSA-N
XLogP0.38
TPSA41.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethylpyrimidin-2-imine?
The IUPAC name of 1-ethylpyrimidin-2-imine (CID 119098027) is 1-ethylpyrimidin-2-imine.
What is the SMILES notation for 1-ethylpyrimidin-2-imine?
The canonical SMILES for 1-ethylpyrimidin-2-imine is [H]/N=c1\ncccn1CC.
What is the InChIKey of 1-ethylpyrimidin-2-imine?
The InChIKey is HNNQIYXSTLIWEI-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H9N3/c1-2-9-5-3-4-8-6(9)7/h3-5,7H,2H2,1H3/b7-6+.
What are the key properties of 1-ethylpyrimidin-2-imine?
1-ethylpyrimidin-2-imine has a molecular weight of 123.16 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylpyrimidin-2-imine is sourced from PubChem (CID 119098027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).