3-methyl-2-[(1Z,3E)-2,3,4-trimethylhexa-1,3-dienyl]pyrimidin-4-one

C14H20N2O — CID 168998954

IUPAC3-methyl-2-[(1Z,3E)-2,3,4-trimethylhexa-1,3-dienyl]pyrimidin-4-one
SMILESCC/C(C)=C(C)/C(C)=C\c1nccc(=O)n1C
InChIInChI=1S/C14H20N2O/c1-6-10(2)12(4)11(3)9-13-15-8-7-14(17)16(13)5/h7-9H,6H2,1-5H3/b11-9-,12-10+
InChIKeyHIQGIVDRNWCETN-DSOJMZEYSA-N
MW232.33 g/mol
LogP2.93
Rot. Bonds3

About 3-methyl-2-[(1Z,3E)-2,3,4-trimethylhexa-1,3-dienyl]pyrimidin-4-one

3-methyl-2-[(1Z,3E)-2,3,4-trimethylhexa-1,3-dienyl]pyrimidin-4-one (PubChem CID 168998954) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-methyl-2-[(1Z,3E)-2,3,4-trimethylhexa-1,3-dienyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-2-[(1Z,3E)-2,3,4-trimethylhexa-1,3-dienyl]pyrimidin-4-one
PubChem CID168998954
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3-methyl-2-[(1Z,3E)-2,3,4-trimethylhexa-1,3-dienyl]pyrimidin-4-one
SMILESCC/C(C)=C(C)/C(C)=C\c1nccc(=O)n1C
InChIInChI=1S/C14H20N2O/c1-6-10(2)12(4)11(3)9-13-15-8-7-14(17)16(13)5/h7-9H,6H2,1-5H3/b11-9-,12-10+
InChIKeyHIQGIVDRNWCETN-DSOJMZEYSA-N
XLogP2.93
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2,8-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 4021578
3-methyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 529094
2-Chloro-7-methyl-4h-pyrido[1,2-a]pyrimidin-4-one
CID 266518
4-hydroxy-3-(2-methylprop-1-en-1-yl)-2H-pyrido[1,2-a]pyrimidin-2-one
CID 135403901
2-Methoxy-7-methyl-4h-pyrido[1,2-a]pyrimidin-4-one
CID 266901
2-hydroxy-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 135426874
2,7-Dimethylpyrido[1,2-a]pyrimidin-4-one
CID 12369824
N,N-diethyl-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 42890836
2-[(1Z)-2,3-dimethylbuta-1,3-dienyl]-6-(1-fluoroprop-2-enyl)-3-methylpyrimidin-4-one
CID 168998773
4-Hydroxy-8-methylpyrido[1,2-a]pyrimidin-2-one
CID 135426870
3,7-Dimethylpyrido[1,2-a]pyrimidin-4-one
CID 155812076
7-Methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 529100

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(1Z,3E)-2,3,4-trimethylhexa-1,3-dienyl]pyrimidin-4-one?
The IUPAC name of 3-methyl-2-[(1Z,3E)-2,3,4-trimethylhexa-1,3-dienyl]pyrimidin-4-one (CID 168998954) is 3-methyl-2-[(1Z,3E)-2,3,4-trimethylhexa-1,3-dienyl]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-2-[(1Z,3E)-2,3,4-trimethylhexa-1,3-dienyl]pyrimidin-4-one?
The canonical SMILES for 3-methyl-2-[(1Z,3E)-2,3,4-trimethylhexa-1,3-dienyl]pyrimidin-4-one is CC/C(C)=C(C)/C(C)=C\c1nccc(=O)n1C.
What is the InChIKey of 3-methyl-2-[(1Z,3E)-2,3,4-trimethylhexa-1,3-dienyl]pyrimidin-4-one?
The InChIKey is HIQGIVDRNWCETN-DSOJMZEYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-6-10(2)12(4)11(3)9-13-15-8-7-14(17)16(13)5/h7-9H,6H2,1-5H3/b11-9-,12-10+.
What are the key properties of 3-methyl-2-[(1Z,3E)-2,3,4-trimethylhexa-1,3-dienyl]pyrimidin-4-one?
3-methyl-2-[(1Z,3E)-2,3,4-trimethylhexa-1,3-dienyl]pyrimidin-4-one has a molecular weight of 232.33 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(1Z,3E)-2,3,4-trimethylhexa-1,3-dienyl]pyrimidin-4-one is sourced from PubChem (CID 168998954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).