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

C11H14N2 — CID 144594601

IUPAC(4E)-4-ethylidene-2,5-dimethyl-6,7-dihydrocyclopenta[d]pyrimidine
SMILESC/C=c1/nc(C)nc2c1=C(C)CC2
InChIInChI=1S/C11H14N2/c1-4-9-11-7(2)5-6-10(11)13-8(3)12-9/h4H,5-6H2,1-3H3/b9-4+
InChIKeyMVYHTMBNEYUPIM-RUDMXATFSA-N
MW174.25 g/mol
LogP0.70
Rot. Bonds

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

(4E)-4-ethylidene-2,5-dimethyl-6,7-dihydrocyclopenta[d]pyrimidine (PubChem CID 144594601) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is (4E)-4-ethylidene-2,5-dimethyl-6,7-dihydrocyclopenta[d]pyrimidine.

Molecular Properties

Compound Name(4E)-4-ethylidene-2,5-dimethyl-6,7-dihydrocyclopenta[d]pyrimidine
PubChem CID144594601
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name(4E)-4-ethylidene-2,5-dimethyl-6,7-dihydrocyclopenta[d]pyrimidine
SMILESC/C=c1/nc(C)nc2c1=C(C)CC2
InChIInChI=1S/C11H14N2/c1-4-9-11-7(2)5-6-10(11)13-8(3)12-9/h4H,5-6H2,1-3H3/b9-4+
InChIKeyMVYHTMBNEYUPIM-RUDMXATFSA-N
XLogP0.70
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Dihydroindolo[2,3-b]quinoline
CID 145915999
2,4-dimethyl-5H-pyrimido[4,5-b]indole
CID 19067856
2-methyl-4,6-dihydro-3H-cyclopenta[b]pyridine
CID 58213716
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
5-Methyl-4-methylidenecyclopenta[d]pyrimidine
CID 140956189
ethane;(4E)-4-ethylidene-5-methyl-6,7-dihydrocyclopenta[d]pyrimidine
CID 144594578
ethane;(4E)-4-ethylidene-2,5-dimethyl-6,7-dihydrocyclopenta[d]pyrimidine
CID 144594600
(5E)-2,4-dimethyl-6-methylidene-5-prop-2-enylidenepyrimidine
CID 145321676
5-methyl-4H-benzimidazole
CID 148095162
3-ethyl-4H-pyrido[2,3-b]indol-2-amine
CID 124225671
3-propyl-4H-pyrido[2,3-b]indol-2-amine
CID 124226319

Frequently Asked Questions

What is the IUPAC name of (4E)-4-ethylidene-2,5-dimethyl-6,7-dihydrocyclopenta[d]pyrimidine?
The IUPAC name of (4E)-4-ethylidene-2,5-dimethyl-6,7-dihydrocyclopenta[d]pyrimidine (CID 144594601) is (4E)-4-ethylidene-2,5-dimethyl-6,7-dihydrocyclopenta[d]pyrimidine.
What is the SMILES notation for (4E)-4-ethylidene-2,5-dimethyl-6,7-dihydrocyclopenta[d]pyrimidine?
The canonical SMILES for (4E)-4-ethylidene-2,5-dimethyl-6,7-dihydrocyclopenta[d]pyrimidine is C/C=c1/nc(C)nc2c1=C(C)CC2.
What is the InChIKey of (4E)-4-ethylidene-2,5-dimethyl-6,7-dihydrocyclopenta[d]pyrimidine?
The InChIKey is MVYHTMBNEYUPIM-RUDMXATFSA-N. The full InChI is InChI=1S/C11H14N2/c1-4-9-11-7(2)5-6-10(11)13-8(3)12-9/h4H,5-6H2,1-3H3/b9-4+.
What are the key properties of (4E)-4-ethylidene-2,5-dimethyl-6,7-dihydrocyclopenta[d]pyrimidine?
(4E)-4-ethylidene-2,5-dimethyl-6,7-dihydrocyclopenta[d]pyrimidine has a molecular weight of 174.25 g/mol, XLogP of 0.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-ethylidene-2,5-dimethyl-6,7-dihydrocyclopenta[d]pyrimidine is sourced from PubChem (CID 144594601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).