5-ethylidene-4-(2-methylbut-2-enylidene)pyrimidine

C11H14N2 — CID 90709637

IUPAC5-ethylidene-4-(2-methylbut-2-enylidene)pyrimidine
SMILESCC=C(C)C=c1ncncc1=CC
InChIInChI=1S/C11H14N2/c1-4-9(3)6-11-10(5-2)7-12-8-13-11/h4-8H,1-3H3
InChIKeyOMLHSLNXPYHPEF-UHFFFAOYSA-N
MW174.25 g/mol
LogP1.02
Rot. Bonds1

About 5-ethylidene-4-(2-methylbut-2-enylidene)pyrimidine

5-ethylidene-4-(2-methylbut-2-enylidene)pyrimidine (PubChem CID 90709637) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 5-ethylidene-4-(2-methylbut-2-enylidene)pyrimidine.

Molecular Properties

Compound Name5-ethylidene-4-(2-methylbut-2-enylidene)pyrimidine
PubChem CID90709637
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name5-ethylidene-4-(2-methylbut-2-enylidene)pyrimidine
SMILESCC=C(C)C=c1ncncc1=CC
InChIInChI=1S/C11H14N2/c1-4-9(3)6-11-10(5-2)7-12-8-13-11/h4-8H,1-3H3
InChIKeyOMLHSLNXPYHPEF-UHFFFAOYSA-N
XLogP1.02
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 60123978
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CID 68010675
6,6-Dimethylcyclohepta[d]pyrimidine
CID 70316666
(2E)-N-methyl-2-(3-methylidene-2-pyridinylidene)ethanimine
CID 88271063
(2E,3Z)-2,3-di(ethylidene)pyridine
CID 88552849
8H-quinazolin-8-ide;rhodium
CID 88955705
(5E)-4-methyl-6-methylidene-5-[(Z)-pent-2-enylidene]pyrimidine
CID 89038797
6,6-Dimethylpyrimido[4,5-c]azepine
CID 89075690
(7R)-7-methyl-6,7-dihydroquinazoline
CID 89097060
3-Ethyl-6,7-dihydroquinoline
CID 89097266
(2E,3Z)-2-ethylidene-3-propylidenepyridine
CID 89097805
(2Z,4E,6Z)-N-methyl-6-(2-methylidene-3-pyridinylidene)hexa-2,4-dien-1-imine
CID 89112517

Frequently Asked Questions

What is the IUPAC name of 5-ethylidene-4-(2-methylbut-2-enylidene)pyrimidine?
The IUPAC name of 5-ethylidene-4-(2-methylbut-2-enylidene)pyrimidine (CID 90709637) is 5-ethylidene-4-(2-methylbut-2-enylidene)pyrimidine.
What is the SMILES notation for 5-ethylidene-4-(2-methylbut-2-enylidene)pyrimidine?
The canonical SMILES for 5-ethylidene-4-(2-methylbut-2-enylidene)pyrimidine is CC=C(C)C=c1ncncc1=CC.
What is the InChIKey of 5-ethylidene-4-(2-methylbut-2-enylidene)pyrimidine?
The InChIKey is OMLHSLNXPYHPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-4-9(3)6-11-10(5-2)7-12-8-13-11/h4-8H,1-3H3.
What are the key properties of 5-ethylidene-4-(2-methylbut-2-enylidene)pyrimidine?
5-ethylidene-4-(2-methylbut-2-enylidene)pyrimidine has a molecular weight of 174.25 g/mol, XLogP of 1.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylidene-4-(2-methylbut-2-enylidene)pyrimidine is sourced from PubChem (CID 90709637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).