(4E,5E)-4-[(Z)-but-2-enylidene]-6-methyl-5-prop-2-enylidenepyrimidine

C12H14N2 — CID 143095256

IUPAC(4E,5E)-4-[(Z)-but-2-enylidene]-6-methyl-5-prop-2-enylidenepyrimidine
SMILESC=C/C=c1/c(C)ncn/c1=C/C=C\C
InChIInChI=1S/C12H14N2/c1-4-6-8-12-11(7-5-2)10(3)13-9-14-12/h4-9H,2H2,1,3H3/b6-4-,11-7-,12-8+
InChIKeyYBSPKTHFEDYIFY-QWVCTFSISA-N
MW186.26 g/mol
LogP1.11
Rot. Bonds2

About (4E,5E)-4-[(Z)-but-2-enylidene]-6-methyl-5-prop-2-enylidenepyrimidine

(4E,5E)-4-[(Z)-but-2-enylidene]-6-methyl-5-prop-2-enylidenepyrimidine (PubChem CID 143095256) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is (4E,5E)-4-[(Z)-but-2-enylidene]-6-methyl-5-prop-2-enylidenepyrimidine.

Molecular Properties

Compound Name(4E,5E)-4-[(Z)-but-2-enylidene]-6-methyl-5-prop-2-enylidenepyrimidine
PubChem CID143095256
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name(4E,5E)-4-[(Z)-but-2-enylidene]-6-methyl-5-prop-2-enylidenepyrimidine
SMILESC=C/C=c1/c(C)ncn/c1=C/C=C\C
InChIInChI=1S/C12H14N2/c1-4-6-8-12-11(7-5-2)10(3)13-9-14-12/h4-9H,2H2,1,3H3/b6-4-,11-7-,12-8+
InChIKeyYBSPKTHFEDYIFY-QWVCTFSISA-N
XLogP1.11
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Imidazocarbazole
CID 21887508
4H-cyclohepta[d]pyrimidine
CID 45080391
7,8-Dimethylimidazo[4,5-e]-indole
CID 129789599
2,4-dimethyl-5H-pyrimido[4,5-b]indole
CID 19067856
Imidazo[4,5-c]carbazole
CID 21887054
1H-pyrimido[5,4-a]carbazole
CID 21887286
6-methyl-3aH-benzimidazole
CID 53400306
5-methyl-3aH-benzimidazole
CID 53402968
4-methyl-8H-quinazolin-8-ide;yttrium
CID 58945777
4-methyl-5H-quinazolin-5-ide;yttrium
CID 58945779
4-Methyl-6,7-dihydroquinazoline
CID 59065946
2-Methylpyrrolo[2,3-b]indole
CID 67634624

Frequently Asked Questions

What is the IUPAC name of (4E,5E)-4-[(Z)-but-2-enylidene]-6-methyl-5-prop-2-enylidenepyrimidine?
The IUPAC name of (4E,5E)-4-[(Z)-but-2-enylidene]-6-methyl-5-prop-2-enylidenepyrimidine (CID 143095256) is (4E,5E)-4-[(Z)-but-2-enylidene]-6-methyl-5-prop-2-enylidenepyrimidine.
What is the SMILES notation for (4E,5E)-4-[(Z)-but-2-enylidene]-6-methyl-5-prop-2-enylidenepyrimidine?
The canonical SMILES for (4E,5E)-4-[(Z)-but-2-enylidene]-6-methyl-5-prop-2-enylidenepyrimidine is C=C/C=c1/c(C)ncn/c1=C/C=C\C.
What is the InChIKey of (4E,5E)-4-[(Z)-but-2-enylidene]-6-methyl-5-prop-2-enylidenepyrimidine?
The InChIKey is YBSPKTHFEDYIFY-QWVCTFSISA-N. The full InChI is InChI=1S/C12H14N2/c1-4-6-8-12-11(7-5-2)10(3)13-9-14-12/h4-9H,2H2,1,3H3/b6-4-,11-7-,12-8+.
What are the key properties of (4E,5E)-4-[(Z)-but-2-enylidene]-6-methyl-5-prop-2-enylidenepyrimidine?
(4E,5E)-4-[(Z)-but-2-enylidene]-6-methyl-5-prop-2-enylidenepyrimidine has a molecular weight of 186.26 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-4-[(Z)-but-2-enylidene]-6-methyl-5-prop-2-enylidenepyrimidine is sourced from PubChem (CID 143095256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).