ethane;(4E,5E)-2-methyl-4,5-bis(prop-2-enylidene)pyrimidine

C15H24N2 — CID 142280939

IUPACethane;(4E,5E)-2-methyl-4,5-bis(prop-2-enylidene)pyrimidine
SMILESC=C/C=c1/cnc(C)n/c1=C/C=C.CC.CC
InChIInChI=1S/C11H12N2.2C2H6/c1-4-6-10-8-12-9(3)13-11(10)7-5-2;2*1-2/h4-8H,1-2H2,3H3;2*1-2H3/b10-6-,11-7+;;
InChIKeyIUPPVHBVPWYIAT-ZKEATHAOSA-N
MW232.37 g/mol
LogP2.77
Rot. Bonds2

About ethane;(4E,5E)-2-methyl-4,5-bis(prop-2-enylidene)pyrimidine

ethane;(4E,5E)-2-methyl-4,5-bis(prop-2-enylidene)pyrimidine (PubChem CID 142280939) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is ethane;(4E,5E)-2-methyl-4,5-bis(prop-2-enylidene)pyrimidine.

Molecular Properties

Compound Nameethane;(4E,5E)-2-methyl-4,5-bis(prop-2-enylidene)pyrimidine
PubChem CID142280939
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Nameethane;(4E,5E)-2-methyl-4,5-bis(prop-2-enylidene)pyrimidine
SMILESC=C/C=c1/cnc(C)n/c1=C/C=C.CC.CC
InChIInChI=1S/C11H12N2.2C2H6/c1-4-6-10-8-12-9(3)13-11(10)7-5-2;2*1-2/h4-8H,1-2H2,3H3;2*1-2H3/b10-6-,11-7+;;
InChIKeyIUPPVHBVPWYIAT-ZKEATHAOSA-N
XLogP2.77
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 70306674
6,6-Dimethylcyclohepta[d]pyrimidine
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(2E,3Z)-2,3-di(ethylidene)pyridine
CID 88552849
(5E)-4-methyl-6-methylidene-5-[(Z)-pent-2-enylidene]pyrimidine
CID 89038797
6,6-Dimethylpyrimido[4,5-c]azepine
CID 89075690
(2E,3Z)-2-ethylidene-3-propylidenepyridine
CID 89097805
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CID 89112517
6-methyl-6H-cyclohepta[d]pyrimidine
CID 89129896

Frequently Asked Questions

What is the IUPAC name of ethane;(4E,5E)-2-methyl-4,5-bis(prop-2-enylidene)pyrimidine?
The IUPAC name of ethane;(4E,5E)-2-methyl-4,5-bis(prop-2-enylidene)pyrimidine (CID 142280939) is ethane;(4E,5E)-2-methyl-4,5-bis(prop-2-enylidene)pyrimidine.
What is the SMILES notation for ethane;(4E,5E)-2-methyl-4,5-bis(prop-2-enylidene)pyrimidine?
The canonical SMILES for ethane;(4E,5E)-2-methyl-4,5-bis(prop-2-enylidene)pyrimidine is C=C/C=c1/cnc(C)n/c1=C/C=C.CC.CC.
What is the InChIKey of ethane;(4E,5E)-2-methyl-4,5-bis(prop-2-enylidene)pyrimidine?
The InChIKey is IUPPVHBVPWYIAT-ZKEATHAOSA-N. The full InChI is InChI=1S/C11H12N2.2C2H6/c1-4-6-10-8-12-9(3)13-11(10)7-5-2;2*1-2/h4-8H,1-2H2,3H3;2*1-2H3/b10-6-,11-7+;;.
What are the key properties of ethane;(4E,5E)-2-methyl-4,5-bis(prop-2-enylidene)pyrimidine?
ethane;(4E,5E)-2-methyl-4,5-bis(prop-2-enylidene)pyrimidine has a molecular weight of 232.37 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4E,5E)-2-methyl-4,5-bis(prop-2-enylidene)pyrimidine is sourced from PubChem (CID 142280939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).