(4E,5E)-4-ethylidene-6-methyl-5-(2-methylprop-2-enylidene)pyrimidine

C11H14N2 — CID 90136221

IUPAC(4E,5E)-4-ethylidene-6-methyl-5-(2-methylprop-2-enylidene)pyrimidine
SMILESC=C(C)/C=c1/c(C)ncn/c1=C/C
InChIInChI=1S/C11H14N2/c1-5-11-10(6-8(2)3)9(4)12-7-13-11/h5-7H,2H2,1,3-4H3/b10-6-,11-5+
InChIKeyRQDXBSXNWRDMLE-RECYIEQESA-N
MW174.25 g/mol
LogP0.94
Rot. Bonds1

About (4E,5E)-4-ethylidene-6-methyl-5-(2-methylprop-2-enylidene)pyrimidine

(4E,5E)-4-ethylidene-6-methyl-5-(2-methylprop-2-enylidene)pyrimidine (PubChem CID 90136221) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is (4E,5E)-4-ethylidene-6-methyl-5-(2-methylprop-2-enylidene)pyrimidine.

Molecular Properties

Compound Name(4E,5E)-4-ethylidene-6-methyl-5-(2-methylprop-2-enylidene)pyrimidine
PubChem CID90136221
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name(4E,5E)-4-ethylidene-6-methyl-5-(2-methylprop-2-enylidene)pyrimidine
SMILESC=C(C)/C=c1/c(C)ncn/c1=C/C
InChIInChI=1S/C11H14N2/c1-5-11-10(6-8(2)3)9(4)12-7-13-11/h5-7H,2H2,1,3-4H3/b10-6-,11-5+
InChIKeyRQDXBSXNWRDMLE-RECYIEQESA-N
XLogP0.94
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4E,5E)-4-ethylidene-6-methyl-5-(2-methylprop-2-enylidene)pyrimidine 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-ethylidene-6-methyl-5-(2-methylprop-2-enylidene)pyrimidine?
The IUPAC name of (4E,5E)-4-ethylidene-6-methyl-5-(2-methylprop-2-enylidene)pyrimidine (CID 90136221) is (4E,5E)-4-ethylidene-6-methyl-5-(2-methylprop-2-enylidene)pyrimidine.
What is the SMILES notation for (4E,5E)-4-ethylidene-6-methyl-5-(2-methylprop-2-enylidene)pyrimidine?
The canonical SMILES for (4E,5E)-4-ethylidene-6-methyl-5-(2-methylprop-2-enylidene)pyrimidine is C=C(C)/C=c1/c(C)ncn/c1=C/C.
What is the InChIKey of (4E,5E)-4-ethylidene-6-methyl-5-(2-methylprop-2-enylidene)pyrimidine?
The InChIKey is RQDXBSXNWRDMLE-RECYIEQESA-N. The full InChI is InChI=1S/C11H14N2/c1-5-11-10(6-8(2)3)9(4)12-7-13-11/h5-7H,2H2,1,3-4H3/b10-6-,11-5+.
What are the key properties of (4E,5E)-4-ethylidene-6-methyl-5-(2-methylprop-2-enylidene)pyrimidine?
(4E,5E)-4-ethylidene-6-methyl-5-(2-methylprop-2-enylidene)pyrimidine has a molecular weight of 174.25 g/mol, XLogP of 0.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-4-ethylidene-6-methyl-5-(2-methylprop-2-enylidene)pyrimidine is sourced from PubChem (CID 90136221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).