(5E)-6-methylidene-5-[(Z)-3-methylpent-2-enylidene]-1,2-dihydropyrimidine

C11H16N2 — CID 126583286

IUPAC(5E)-6-methylidene-5-[(Z)-3-methylpent-2-enylidene]-1,2-dihydropyrimidine
SMILESC=C1NCN=C/C1=C/C=C(/C)CC
InChIInChI=1S/C11H16N2/c1-4-9(2)5-6-11-7-12-8-13-10(11)3/h5-7,13H,3-4,8H2,1-2H3/b9-5-,11-6-
InChIKeyOENKUZBNGRAPLA-WFMPKDELSA-N
MW176.26 g/mol
LogP2.41
Rot. Bonds2

About (5E)-6-methylidene-5-[(Z)-3-methylpent-2-enylidene]-1,2-dihydropyrimidine

(5E)-6-methylidene-5-[(Z)-3-methylpent-2-enylidene]-1,2-dihydropyrimidine (PubChem CID 126583286) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is (5E)-6-methylidene-5-[(Z)-3-methylpent-2-enylidene]-1,2-dihydropyrimidine.

Molecular Properties

Compound Name(5E)-6-methylidene-5-[(Z)-3-methylpent-2-enylidene]-1,2-dihydropyrimidine
PubChem CID126583286
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name(5E)-6-methylidene-5-[(Z)-3-methylpent-2-enylidene]-1,2-dihydropyrimidine
SMILESC=C1NCN=C/C1=C/C=C(/C)CC
InChIInChI=1S/C11H16N2/c1-4-9(2)5-6-11-7-12-8-13-10(11)3/h5-7,13H,3-4,8H2,1-2H3/b9-5-,11-6-
InChIKeyOENKUZBNGRAPLA-WFMPKDELSA-N
XLogP2.41
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5E)-6-methylidene-5-[(Z)-3-methylpent-2-enylidene]-1,2-dihydropyrimidine?
The IUPAC name of (5E)-6-methylidene-5-[(Z)-3-methylpent-2-enylidene]-1,2-dihydropyrimidine (CID 126583286) is (5E)-6-methylidene-5-[(Z)-3-methylpent-2-enylidene]-1,2-dihydropyrimidine.
What is the SMILES notation for (5E)-6-methylidene-5-[(Z)-3-methylpent-2-enylidene]-1,2-dihydropyrimidine?
The canonical SMILES for (5E)-6-methylidene-5-[(Z)-3-methylpent-2-enylidene]-1,2-dihydropyrimidine is C=C1NCN=C/C1=C/C=C(/C)CC.
What is the InChIKey of (5E)-6-methylidene-5-[(Z)-3-methylpent-2-enylidene]-1,2-dihydropyrimidine?
The InChIKey is OENKUZBNGRAPLA-WFMPKDELSA-N. The full InChI is InChI=1S/C11H16N2/c1-4-9(2)5-6-11-7-12-8-13-10(11)3/h5-7,13H,3-4,8H2,1-2H3/b9-5-,11-6-.
What are the key properties of (5E)-6-methylidene-5-[(Z)-3-methylpent-2-enylidene]-1,2-dihydropyrimidine?
(5E)-6-methylidene-5-[(Z)-3-methylpent-2-enylidene]-1,2-dihydropyrimidine has a molecular weight of 176.26 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-6-methylidene-5-[(Z)-3-methylpent-2-enylidene]-1,2-dihydropyrimidine is sourced from PubChem (CID 126583286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).