1-ethenylpyrimidin-2-imine

C6H7N3 — CID 89470074

IUPAC1-ethenylpyrimidin-2-imine
SMILES[H]/N=c1\ncccn1C=C
InChIInChI=1S/C6H7N3/c1-2-9-5-3-4-8-6(9)7/h2-5,7H,1H2/b7-6+
InChIKeyXSXAVMSXGIDRJJ-VOTSOKGWSA-N
MW121.14 g/mol
LogP0.46
Rot. Bonds1

About 1-ethenylpyrimidin-2-imine

1-ethenylpyrimidin-2-imine (PubChem CID 89470074) has the molecular formula C6H7N3 and a molecular weight of 121.14 g/mol. Its IUPAC name is 1-ethenylpyrimidin-2-imine.

Molecular Properties

Compound Name1-ethenylpyrimidin-2-imine
PubChem CID89470074
Molecular FormulaC6H7N3
Molecular Weight121.14 g/mol
Exact Mass121.06
IUPAC Name1-ethenylpyrimidin-2-imine
SMILES[H]/N=c1\ncccn1C=C
InChIInChI=1S/C6H7N3/c1-2-9-5-3-4-8-6(9)7/h2-5,7H,1H2/b7-6+
InChIKeyXSXAVMSXGIDRJJ-VOTSOKGWSA-N
XLogP0.46
TPSA41.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethenylpyrimidin-2-imine?
The IUPAC name of 1-ethenylpyrimidin-2-imine (CID 89470074) is 1-ethenylpyrimidin-2-imine.
What is the SMILES notation for 1-ethenylpyrimidin-2-imine?
The canonical SMILES for 1-ethenylpyrimidin-2-imine is [H]/N=c1\ncccn1C=C.
What is the InChIKey of 1-ethenylpyrimidin-2-imine?
The InChIKey is XSXAVMSXGIDRJJ-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H7N3/c1-2-9-5-3-4-8-6(9)7/h2-5,7H,1H2/b7-6+.
What are the key properties of 1-ethenylpyrimidin-2-imine?
1-ethenylpyrimidin-2-imine has a molecular weight of 121.14 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylpyrimidin-2-imine is sourced from PubChem (CID 89470074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).