(4E)-2-methyl-5-methylidene-4-prop-2-enylidenepyrimidine

C9H10N2 — CID 142408490

IUPAC(4E)-2-methyl-5-methylidene-4-prop-2-enylidenepyrimidine
SMILESC=C/C=c1/nc(C)ncc1=C
InChIInChI=1S/C9H10N2/c1-4-5-9-7(2)6-10-8(3)11-9/h4-6H,1-2H2,3H3/b9-5+
InChIKeyJXHLSWDMYHUYJV-WEVVVXLNSA-N
MW146.19 g/mol
LogP0.16
Rot. Bonds1

About (4E)-2-methyl-5-methylidene-4-prop-2-enylidenepyrimidine

(4E)-2-methyl-5-methylidene-4-prop-2-enylidenepyrimidine (PubChem CID 142408490) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is (4E)-2-methyl-5-methylidene-4-prop-2-enylidenepyrimidine.

Molecular Properties

Compound Name(4E)-2-methyl-5-methylidene-4-prop-2-enylidenepyrimidine
PubChem CID142408490
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name(4E)-2-methyl-5-methylidene-4-prop-2-enylidenepyrimidine
SMILESC=C/C=c1/nc(C)ncc1=C
InChIInChI=1S/C9H10N2/c1-4-5-9-7(2)6-10-8(3)11-9/h4-6H,1-2H2,3H3/b9-5+
InChIKeyJXHLSWDMYHUYJV-WEVVVXLNSA-N
XLogP0.16
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-Dihydro-1,8-naphthyridine
CID 53699458
2-Methylimidazolo[4,5-f]-indole
CID 129785117
(2E)-3-methylidene-2-prop-2-enylidenepyridine
CID 60116677
(3Z)-3-ethylidene-N-methylpyridin-2-imine
CID 68010675
(3Z)-3-ethylidene-N-[(Z)-3-methylbut-1-enyl]pyridin-2-imine
CID 70306674
6,6-Dimethylcyclohepta[d]pyrimidine
CID 70316666
3-Methylidene-2-prop-2-enylidenepyridine
CID 72652539
(2E)-N-methyl-2-(3-methylidene-2-pyridinylidene)ethanimine
CID 88271063
(2E,3Z)-2,3-di(ethylidene)pyridine
CID 88552849
(2E,3Z)-2-[(2Z,4Z)-hepta-2,4,6-trienylidene]-3-prop-2-enylidenepyridine
CID 88561271
(3Z)-2-methylidene-3-[(2Z,4Z,6Z)-nona-2,4,6,8-tetraenylidene]pyridine
CID 88561456
(5E)-4-methyl-6-methylidene-5-[(Z)-pent-2-enylidene]pyrimidine
CID 89038797

Frequently Asked Questions

What is the IUPAC name of (4E)-2-methyl-5-methylidene-4-prop-2-enylidenepyrimidine?
The IUPAC name of (4E)-2-methyl-5-methylidene-4-prop-2-enylidenepyrimidine (CID 142408490) is (4E)-2-methyl-5-methylidene-4-prop-2-enylidenepyrimidine.
What is the SMILES notation for (4E)-2-methyl-5-methylidene-4-prop-2-enylidenepyrimidine?
The canonical SMILES for (4E)-2-methyl-5-methylidene-4-prop-2-enylidenepyrimidine is C=C/C=c1/nc(C)ncc1=C.
What is the InChIKey of (4E)-2-methyl-5-methylidene-4-prop-2-enylidenepyrimidine?
The InChIKey is JXHLSWDMYHUYJV-WEVVVXLNSA-N. The full InChI is InChI=1S/C9H10N2/c1-4-5-9-7(2)6-10-8(3)11-9/h4-6H,1-2H2,3H3/b9-5+.
What are the key properties of (4E)-2-methyl-5-methylidene-4-prop-2-enylidenepyrimidine?
(4E)-2-methyl-5-methylidene-4-prop-2-enylidenepyrimidine has a molecular weight of 146.19 g/mol, XLogP of 0.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-methyl-5-methylidene-4-prop-2-enylidenepyrimidine is sourced from PubChem (CID 142408490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).