(4E,5E)-4-prop-2-enylidene-5-propylidenepyrimidine

C10H12N2 — CID 139406244

IUPAC(4E,5E)-4-prop-2-enylidene-5-propylidenepyrimidine
SMILESC=C/C=c1/ncnc/c1=C/CC
InChIInChI=1S/C10H12N2/c1-3-5-9-7-11-8-12-10(9)6-4-2/h4-8H,2-3H2,1H3/b9-5-,10-6+
InChIKeyIQURKOQYJVNMJO-VTBWALSUSA-N
MW160.22 g/mol
LogP0.63
Rot. Bonds2

About (4E,5E)-4-prop-2-enylidene-5-propylidenepyrimidine

(4E,5E)-4-prop-2-enylidene-5-propylidenepyrimidine (PubChem CID 139406244) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is (4E,5E)-4-prop-2-enylidene-5-propylidenepyrimidine.

Molecular Properties

Compound Name(4E,5E)-4-prop-2-enylidene-5-propylidenepyrimidine
PubChem CID139406244
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name(4E,5E)-4-prop-2-enylidene-5-propylidenepyrimidine
SMILESC=C/C=c1/ncnc/c1=C/CC
InChIInChI=1S/C10H12N2/c1-3-5-9-7-11-8-12-10(9)6-4-2/h4-8H,2-3H2,1H3/b9-5-,10-6+
InChIKeyIQURKOQYJVNMJO-VTBWALSUSA-N
XLogP0.63
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4E,5E)-4-prop-2-enylidene-5-propylidenepyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4E,5E)-4-prop-2-enylidene-5-propylidenepyrimidine?
The IUPAC name of (4E,5E)-4-prop-2-enylidene-5-propylidenepyrimidine (CID 139406244) is (4E,5E)-4-prop-2-enylidene-5-propylidenepyrimidine.
What is the SMILES notation for (4E,5E)-4-prop-2-enylidene-5-propylidenepyrimidine?
The canonical SMILES for (4E,5E)-4-prop-2-enylidene-5-propylidenepyrimidine is C=C/C=c1/ncnc/c1=C/CC.
What is the InChIKey of (4E,5E)-4-prop-2-enylidene-5-propylidenepyrimidine?
The InChIKey is IQURKOQYJVNMJO-VTBWALSUSA-N. The full InChI is InChI=1S/C10H12N2/c1-3-5-9-7-11-8-12-10(9)6-4-2/h4-8H,2-3H2,1H3/b9-5-,10-6+.
What are the key properties of (4E,5E)-4-prop-2-enylidene-5-propylidenepyrimidine?
(4E,5E)-4-prop-2-enylidene-5-propylidenepyrimidine has a molecular weight of 160.22 g/mol, XLogP of 0.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-4-prop-2-enylidene-5-propylidenepyrimidine is sourced from PubChem (CID 139406244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).