3-[(Z)-prop-1-enyl]pyrimidin-4-imine

C7H9N3 — CID 88893426

IUPAC3-[(Z)-prop-1-enyl]pyrimidin-4-imine
SMILES[H]/N=c1\ccncn1/C=C\C
InChIInChI=1S/C7H9N3/c1-2-5-10-6-9-4-3-7(10)8/h2-6,8H,1H3/b5-2-,8-7+
InChIKeyQYRBDONZPYLFOB-PGUNPTIDSA-N
MW135.17 g/mol
LogP0.85
Rot. Bonds1

About 3-[(Z)-prop-1-enyl]pyrimidin-4-imine

3-[(Z)-prop-1-enyl]pyrimidin-4-imine (PubChem CID 88893426) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is 3-[(Z)-prop-1-enyl]pyrimidin-4-imine.

Molecular Properties

Compound Name3-[(Z)-prop-1-enyl]pyrimidin-4-imine
PubChem CID88893426
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name3-[(Z)-prop-1-enyl]pyrimidin-4-imine
SMILES[H]/N=c1\ccncn1/C=C\C
InChIInChI=1S/C7H9N3/c1-2-5-10-6-9-4-3-7(10)8/h2-6,8H,1H3/b5-2-,8-7+
InChIKeyQYRBDONZPYLFOB-PGUNPTIDSA-N
XLogP0.85
TPSA41.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-prop-1-enyl]pyrimidin-4-imine?
The IUPAC name of 3-[(Z)-prop-1-enyl]pyrimidin-4-imine (CID 88893426) is 3-[(Z)-prop-1-enyl]pyrimidin-4-imine.
What is the SMILES notation for 3-[(Z)-prop-1-enyl]pyrimidin-4-imine?
The canonical SMILES for 3-[(Z)-prop-1-enyl]pyrimidin-4-imine is [H]/N=c1\ccncn1/C=C\C.
What is the InChIKey of 3-[(Z)-prop-1-enyl]pyrimidin-4-imine?
The InChIKey is QYRBDONZPYLFOB-PGUNPTIDSA-N. The full InChI is InChI=1S/C7H9N3/c1-2-5-10-6-9-4-3-7(10)8/h2-6,8H,1H3/b5-2-,8-7+.
What are the key properties of 3-[(Z)-prop-1-enyl]pyrimidin-4-imine?
3-[(Z)-prop-1-enyl]pyrimidin-4-imine has a molecular weight of 135.17 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-prop-1-enyl]pyrimidin-4-imine is sourced from PubChem (CID 88893426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).