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

C10H12N2 — CID 144594579

IUPAC(4E)-4-ethylidene-5-methyl-6,7-dihydrocyclopenta[d]pyrimidine
SMILESC/C=c1/ncnc2c1=C(C)CC2
InChIInChI=1S/C10H12N2/c1-3-8-10-7(2)4-5-9(10)12-6-11-8/h3,6H,4-5H2,1-2H3/b8-3+
InChIKeyJGACUXHZXBNGML-FPYGCLRLSA-N
MW160.22 g/mol
LogP0.39
Rot. Bonds

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

(4E)-4-ethylidene-5-methyl-6,7-dihydrocyclopenta[d]pyrimidine (PubChem CID 144594579) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is (4E)-4-ethylidene-5-methyl-6,7-dihydrocyclopenta[d]pyrimidine.

Molecular Properties

Compound Name(4E)-4-ethylidene-5-methyl-6,7-dihydrocyclopenta[d]pyrimidine
PubChem CID144594579
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name(4E)-4-ethylidene-5-methyl-6,7-dihydrocyclopenta[d]pyrimidine
SMILESC/C=c1/ncnc2c1=C(C)CC2
InChIInChI=1S/C10H12N2/c1-3-8-10-7(2)4-5-9(10)12-6-11-8/h3,6H,4-5H2,1-2H3/b8-3+
InChIKeyJGACUXHZXBNGML-FPYGCLRLSA-N
XLogP0.39
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7,8-Dimethylimidazo[4,5-e]-indole
CID 129789599
4-Methyl-6,7-dihydroquinazoline
CID 59065946
(5E)-4-methyl-6-methylidene-5-[(Z)-pent-2-enylidene]pyrimidine
CID 89038797
(4E,5E)-4-ethylidene-6-methyl-5-(2-methylprop-2-enylidene)pyrimidine
CID 90136221
4,7-dimethyl-7aH-cyclopenta[d]pyrimidine
CID 118446160
3-(4-Butyl-6-ethylidene-2-methylpyrimidin-5-ylidene)prop-2-en-1-imine
CID 123783644
4-Butyl-2-methylpyrrolo[2,3-d]pyrimidin-7-ium
CID 123919130
5-Methyl-4-methylidenepyrrolo[3,4-d]pyrimidine
CID 139435827
(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
(4E,5E)-4-[(Z)-but-2-enylidene]-6-methyl-5-prop-2-enylidenepyrimidine
CID 143095256

Frequently Asked Questions

What is the IUPAC name of (4E)-4-ethylidene-5-methyl-6,7-dihydrocyclopenta[d]pyrimidine?
The IUPAC name of (4E)-4-ethylidene-5-methyl-6,7-dihydrocyclopenta[d]pyrimidine (CID 144594579) is (4E)-4-ethylidene-5-methyl-6,7-dihydrocyclopenta[d]pyrimidine.
What is the SMILES notation for (4E)-4-ethylidene-5-methyl-6,7-dihydrocyclopenta[d]pyrimidine?
The canonical SMILES for (4E)-4-ethylidene-5-methyl-6,7-dihydrocyclopenta[d]pyrimidine is C/C=c1/ncnc2c1=C(C)CC2.
What is the InChIKey of (4E)-4-ethylidene-5-methyl-6,7-dihydrocyclopenta[d]pyrimidine?
The InChIKey is JGACUXHZXBNGML-FPYGCLRLSA-N. The full InChI is InChI=1S/C10H12N2/c1-3-8-10-7(2)4-5-9(10)12-6-11-8/h3,6H,4-5H2,1-2H3/b8-3+.
What are the key properties of (4E)-4-ethylidene-5-methyl-6,7-dihydrocyclopenta[d]pyrimidine?
(4E)-4-ethylidene-5-methyl-6,7-dihydrocyclopenta[d]pyrimidine has a molecular weight of 160.22 g/mol, XLogP of 0.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-ethylidene-5-methyl-6,7-dihydrocyclopenta[d]pyrimidine is sourced from PubChem (CID 144594579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).