(5E,6E)-4-ethyl-2-methyl-4-(2-methylcyclopropyl)-5-prop-2-enylidene-6-propylidene-1H-pyrimidine

C17H26N2 — CID 144633834

IUPAC(5E,6E)-4-ethyl-2-methyl-4-(2-methylcyclopropyl)-5-prop-2-enylidene-6-propylidene-1H-pyrimidine
SMILESC=C/C=C1C(=C/CC)\NC(C)=NC\1(CC)C1CC1C
InChIInChI=1S/C17H26N2/c1-6-9-14-16(10-7-2)18-13(5)19-17(14,8-3)15-11-12(15)4/h6,9-10,12,15H,1,7-8,11H2,2-5H3,(H,18,19)/b14-9+,16-10+
InChIKeyAQYAJBXDRGSHFE-IEPNIYFGSA-N
MW258.41 g/mol
LogP4.22
Rot. Bonds4

About (5E,6E)-4-ethyl-2-methyl-4-(2-methylcyclopropyl)-5-prop-2-enylidene-6-propylidene-1H-pyrimidine

(5E,6E)-4-ethyl-2-methyl-4-(2-methylcyclopropyl)-5-prop-2-enylidene-6-propylidene-1H-pyrimidine (PubChem CID 144633834) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is (5E,6E)-4-ethyl-2-methyl-4-(2-methylcyclopropyl)-5-prop-2-enylidene-6-propylidene-1H-pyrimidine.

Molecular Properties

Compound Name(5E,6E)-4-ethyl-2-methyl-4-(2-methylcyclopropyl)-5-prop-2-enylidene-6-propylidene-1H-pyrimidine
PubChem CID144633834
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name(5E,6E)-4-ethyl-2-methyl-4-(2-methylcyclopropyl)-5-prop-2-enylidene-6-propylidene-1H-pyrimidine
SMILESC=C/C=C1C(=C/CC)\NC(C)=NC\1(CC)C1CC1C
InChIInChI=1S/C17H26N2/c1-6-9-14-16(10-7-2)18-13(5)19-17(14,8-3)15-11-12(15)4/h6,9-10,12,15H,1,7-8,11H2,2-5H3,(H,18,19)/b14-9+,16-10+
InChIKeyAQYAJBXDRGSHFE-IEPNIYFGSA-N
XLogP4.22
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5E,6E)-4-ethyl-2-methyl-4-(2-methylcyclopropyl)-5-prop-2-enylidene-6-propylidene-1H-pyrimidine with MolForge

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

Launch Full Analysis

Related Compounds

9-(2-ethenyl-6-methylcyclohexa-2,4-dien-1-yl)-2-methyl-4,4a,5,6,7,8-hexahydro-1H-cyclohepta[d]pyrimidine
CID 90705010
N'-[(2Z,4E)-2-cyclopropyl-4-ethanimidoylhexa-2,4-dien-3-yl]-N-[(2E,4Z)-6-(4-ethylcyclohexyl)hepta-2,4-dien-3-yl]-2-methylbutanimidamide
CID 123233034
ethane;(5E,6E)-6-ethylidene-2,4,4-trimethyl-5-prop-2-enylidene-1H-pyrimidine
CID 144563061
ethane;(5E,6E)-5-ethylidene-2,4,4-trimethyl-6-prop-2-enylidene-1H-pyrimidine
CID 144594025
ethane;(5E,6E)-4-ethyl-2-methyl-4-(2-methylcyclopropyl)-5-prop-2-enylidene-6-propylidene-1H-pyrimidine
CID 144633833
ethane;(5E,6E)-2,4,4-trimethyl-5,6-bis(prop-2-enylidene)-1H-pyrimidine
CID 144633870
(5E,6E)-6-[(Z)-but-2-enylidene]-2,4,4-trimethyl-5-prop-2-enylidene-1H-pyrimidine;ethane
CID 145019324
(7Z)-7-[(1Z)-buta-1,3-dienyl]-8-ethenyl-4,4,6-trimethyl-2-propan-2-yl-1,5-dihydro-1,3-diazocin-6-amine
CID 166818072
(6E)-2-tert-butyl-4-ethyl-5,6-di(ethylidene)-4-(2-methylcyclopropyl)-1H-pyrimidine
CID 173721673
N'-methyl-N-[(4Z,8Z)-11-(methylamino)-3,6,7,10-tetramethylidenedodeca-1,4,8,11-tetraen-2-yl]cyclohexanecarboximidamide
CID 144904277

Frequently Asked Questions

What is the IUPAC name of (5E,6E)-4-ethyl-2-methyl-4-(2-methylcyclopropyl)-5-prop-2-enylidene-6-propylidene-1H-pyrimidine?
The IUPAC name of (5E,6E)-4-ethyl-2-methyl-4-(2-methylcyclopropyl)-5-prop-2-enylidene-6-propylidene-1H-pyrimidine (CID 144633834) is (5E,6E)-4-ethyl-2-methyl-4-(2-methylcyclopropyl)-5-prop-2-enylidene-6-propylidene-1H-pyrimidine.
What is the SMILES notation for (5E,6E)-4-ethyl-2-methyl-4-(2-methylcyclopropyl)-5-prop-2-enylidene-6-propylidene-1H-pyrimidine?
The canonical SMILES for (5E,6E)-4-ethyl-2-methyl-4-(2-methylcyclopropyl)-5-prop-2-enylidene-6-propylidene-1H-pyrimidine is C=C/C=C1C(=C/CC)\NC(C)=NC\1(CC)C1CC1C.
What is the InChIKey of (5E,6E)-4-ethyl-2-methyl-4-(2-methylcyclopropyl)-5-prop-2-enylidene-6-propylidene-1H-pyrimidine?
The InChIKey is AQYAJBXDRGSHFE-IEPNIYFGSA-N. The full InChI is InChI=1S/C17H26N2/c1-6-9-14-16(10-7-2)18-13(5)19-17(14,8-3)15-11-12(15)4/h6,9-10,12,15H,1,7-8,11H2,2-5H3,(H,18,19)/b14-9+,16-10+.
What are the key properties of (5E,6E)-4-ethyl-2-methyl-4-(2-methylcyclopropyl)-5-prop-2-enylidene-6-propylidene-1H-pyrimidine?
(5E,6E)-4-ethyl-2-methyl-4-(2-methylcyclopropyl)-5-prop-2-enylidene-6-propylidene-1H-pyrimidine has a molecular weight of 258.41 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,6E)-4-ethyl-2-methyl-4-(2-methylcyclopropyl)-5-prop-2-enylidene-6-propylidene-1H-pyrimidine is sourced from PubChem (CID 144633834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).