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

C12H18N2 — CID 144594578

IUPACethane;(4E)-4-ethylidene-5-methyl-6,7-dihydrocyclopenta[d]pyrimidine
SMILESC/C=c1/ncnc2c1=C(C)CC2.CC
InChIInChI=1S/C10H12N2.C2H6/c1-3-8-10-7(2)4-5-9(10)12-6-11-8;1-2/h3,6H,4-5H2,1-2H3;1-2H3/b8-3+;
InChIKeyWIOTUKYJLAPXTA-DCDCITSCSA-N
MW190.29 g/mol
LogP1.42
Rot. Bonds

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

ethane;(4E)-4-ethylidene-5-methyl-6,7-dihydrocyclopenta[d]pyrimidine (PubChem CID 144594578) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is ethane;(4E)-4-ethylidene-5-methyl-6,7-dihydrocyclopenta[d]pyrimidine.

Molecular Properties

Compound Nameethane;(4E)-4-ethylidene-5-methyl-6,7-dihydrocyclopenta[d]pyrimidine
PubChem CID144594578
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Nameethane;(4E)-4-ethylidene-5-methyl-6,7-dihydrocyclopenta[d]pyrimidine
SMILESC/C=c1/ncnc2c1=C(C)CC2.CC
InChIInChI=1S/C10H12N2.C2H6/c1-3-8-10-7(2)4-5-9(10)12-6-11-8;1-2/h3,6H,4-5H2,1-2H3;1-2H3/b8-3+;
InChIKeyWIOTUKYJLAPXTA-DCDCITSCSA-N
XLogP1.42
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4E,5E)-4-ethylidene-6-methyl-5-(2-methylprop-2-enylidene)pyrimidine
CID 90136221
Ethane;4-methyl-6,7-dihydroquinazoline
CID 90864738
3-(4-Butyl-6-ethylidene-2-methylpyrimidin-5-ylidene)prop-2-en-1-imine
CID 123783644
(5Z)-5-but-3-en-2-ylidene-4-methyl-6-methylidenepyrimidine
CID 139435840
5-Methyl-4-methylidenecyclopenta[d]pyrimidine
CID 140956189
(5E)-5-ethylidene-4-methyl-6-methylidenepyrimidine
CID 141823426
ethane;(4E)-4-ethylidene-2,5-dimethyl-6,7-dihydrocyclopenta[d]pyrimidine
CID 144594600
5-methyl-4H-benzimidazole
CID 148095162
Ethane;4-ethyl-6,7-dihydroquinazoline
CID 153553810
4-Ethyl-8,8-dimethylcyclohepta[d]pyrimidine
CID 156710805
7-(cyclohexen-1-yl)-2-ethyl-5H-1,3-diazepine
CID 164902459
(5E,6E)-5-[(Z)-but-2-enylidene]-4-propan-2-yl-6-propylidenepyrimidine
CID 177205902

Frequently Asked Questions

What is the IUPAC name of ethane;(4E)-4-ethylidene-5-methyl-6,7-dihydrocyclopenta[d]pyrimidine?
The IUPAC name of ethane;(4E)-4-ethylidene-5-methyl-6,7-dihydrocyclopenta[d]pyrimidine (CID 144594578) is ethane;(4E)-4-ethylidene-5-methyl-6,7-dihydrocyclopenta[d]pyrimidine.
What is the SMILES notation for ethane;(4E)-4-ethylidene-5-methyl-6,7-dihydrocyclopenta[d]pyrimidine?
The canonical SMILES for ethane;(4E)-4-ethylidene-5-methyl-6,7-dihydrocyclopenta[d]pyrimidine is C/C=c1/ncnc2c1=C(C)CC2.CC.
What is the InChIKey of ethane;(4E)-4-ethylidene-5-methyl-6,7-dihydrocyclopenta[d]pyrimidine?
The InChIKey is WIOTUKYJLAPXTA-DCDCITSCSA-N. The full InChI is InChI=1S/C10H12N2.C2H6/c1-3-8-10-7(2)4-5-9(10)12-6-11-8;1-2/h3,6H,4-5H2,1-2H3;1-2H3/b8-3+;.
What are the key properties of ethane;(4E)-4-ethylidene-5-methyl-6,7-dihydrocyclopenta[d]pyrimidine?
ethane;(4E)-4-ethylidene-5-methyl-6,7-dihydrocyclopenta[d]pyrimidine has a molecular weight of 190.29 g/mol, XLogP of 1.42, 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-5-methyl-6,7-dihydrocyclopenta[d]pyrimidine is sourced from PubChem (CID 144594578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).