ethane;(4E)-4-ethylidene-2,5-dimethyl-6,7-dihydrocyclopenta[d]pyrimidine

C15H26N2 — CID 144594600

IUPACethane;(4E)-4-ethylidene-2,5-dimethyl-6,7-dihydrocyclopenta[d]pyrimidine
SMILESC/C=c1/nc(C)nc2c1=C(C)CC2.CC.CC
InChIInChI=1S/C11H14N2.2C2H6/c1-4-9-11-7(2)5-6-10(11)13-8(3)12-9;2*1-2/h4H,5-6H2,1-3H3;2*1-2H3/b9-4+;;
InChIKeyHSSJTINEQUGJGK-HPJBNNNXSA-N
MW234.39 g/mol
LogP2.75
Rot. Bonds

About ethane;(4E)-4-ethylidene-2,5-dimethyl-6,7-dihydrocyclopenta[d]pyrimidine

ethane;(4E)-4-ethylidene-2,5-dimethyl-6,7-dihydrocyclopenta[d]pyrimidine (PubChem CID 144594600) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is ethane;(4E)-4-ethylidene-2,5-dimethyl-6,7-dihydrocyclopenta[d]pyrimidine.

Molecular Properties

Compound Nameethane;(4E)-4-ethylidene-2,5-dimethyl-6,7-dihydrocyclopenta[d]pyrimidine
PubChem CID144594600
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Nameethane;(4E)-4-ethylidene-2,5-dimethyl-6,7-dihydrocyclopenta[d]pyrimidine
SMILESC/C=c1/nc(C)nc2c1=C(C)CC2.CC.CC
InChIInChI=1S/C11H14N2.2C2H6/c1-4-9-11-7(2)5-6-10(11)13-8(3)12-9;2*1-2/h4H,5-6H2,1-3H3;2*1-2H3/b9-4+;;
InChIKeyHSSJTINEQUGJGK-HPJBNNNXSA-N
XLogP2.75
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;(4E)-4-ethylidene-2,5-dimethyl-6,7-dihydrocyclopenta[d]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

Dihydroindolo[2,3-b]quinoline
CID 145915999
2,4-dimethyl-5H-pyrimido[4,5-b]indole
CID 19067856
3-(4-Butyl-6-ethylidene-2-methylpyrimidin-5-ylidene)prop-2-en-1-imine
CID 123783644
(4E,5E)-4,5-di(ethylidene)-2,6-dimethylpyrimidine
CID 130351162
(2Z)-N-(3-methyl-5,6-dihydro-3H-indol-2-yl)-2-propylidenecyclohexan-1-imine;hydroiodide
CID 142058732
ethane;(4E)-4-ethylidene-5-methyl-6,7-dihydrocyclopenta[d]pyrimidine
CID 144594578
5-methyl-4H-benzimidazole
CID 148095162
3-propyl-4H-pyrido[2,3-b]indol-2-amine
CID 124226319
2-cyclopenta-1,3-dien-1-yl-5-methyl-4H-benzimidazole
CID 125421239
(2Z)-N-(3-methyl-5,6-dihydro-3H-indol-2-yl)-2-propylidenecyclohexan-1-imine
CID 142058733
(4E)-4-ethylidene-5-methyl-6,7-dihydrocyclopenta[d]pyrimidine
CID 144594579
(4E)-4-ethylidene-2,5-dimethyl-6,7-dihydrocyclopenta[d]pyrimidine
CID 144594601

Frequently Asked Questions

What is the IUPAC name of ethane;(4E)-4-ethylidene-2,5-dimethyl-6,7-dihydrocyclopenta[d]pyrimidine?
The IUPAC name of ethane;(4E)-4-ethylidene-2,5-dimethyl-6,7-dihydrocyclopenta[d]pyrimidine (CID 144594600) is ethane;(4E)-4-ethylidene-2,5-dimethyl-6,7-dihydrocyclopenta[d]pyrimidine.
What is the SMILES notation for ethane;(4E)-4-ethylidene-2,5-dimethyl-6,7-dihydrocyclopenta[d]pyrimidine?
The canonical SMILES for ethane;(4E)-4-ethylidene-2,5-dimethyl-6,7-dihydrocyclopenta[d]pyrimidine is C/C=c1/nc(C)nc2c1=C(C)CC2.CC.CC.
What is the InChIKey of ethane;(4E)-4-ethylidene-2,5-dimethyl-6,7-dihydrocyclopenta[d]pyrimidine?
The InChIKey is HSSJTINEQUGJGK-HPJBNNNXSA-N. The full InChI is InChI=1S/C11H14N2.2C2H6/c1-4-9-11-7(2)5-6-10(11)13-8(3)12-9;2*1-2/h4H,5-6H2,1-3H3;2*1-2H3/b9-4+;;.
What are the key properties of ethane;(4E)-4-ethylidene-2,5-dimethyl-6,7-dihydrocyclopenta[d]pyrimidine?
ethane;(4E)-4-ethylidene-2,5-dimethyl-6,7-dihydrocyclopenta[d]pyrimidine has a molecular weight of 234.39 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4E)-4-ethylidene-2,5-dimethyl-6,7-dihydrocyclopenta[d]pyrimidine is sourced from PubChem (CID 144594600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).