1-(2-cyclohexa-1,5-dien-1-ylethyl)-2-(2-methoxyphenyl)-4,5-dimethyl-6-methylidenepyrimidine

C22H26N2O — CID 143475176

IUPAC1-(2-cyclohexa-1,5-dien-1-ylethyl)-2-(2-methoxyphenyl)-4,5-dimethyl-6-methylidenepyrimidine
SMILESC=C1C(C)=C(C)N=C(c2ccccc2OC)N1CCC1=CCCC=C1
InChIInChI=1S/C22H26N2O/c1-16-17(2)23-22(20-12-8-9-13-21(20)25-4)24(18(16)3)15-14-19-10-6-5-7-11-19/h6,8-13H,3,5,7,14-15H2,1-2,4H3
InChIKeyXFVPHUPMTFSZAC-UHFFFAOYSA-N
MW334.46 g/mol
LogP5.23
Rot. Bonds5

About 1-(2-cyclohexa-1,5-dien-1-ylethyl)-2-(2-methoxyphenyl)-4,5-dimethyl-6-methylidenepyrimidine

1-(2-cyclohexa-1,5-dien-1-ylethyl)-2-(2-methoxyphenyl)-4,5-dimethyl-6-methylidenepyrimidine (PubChem CID 143475176) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-(2-cyclohexa-1,5-dien-1-ylethyl)-2-(2-methoxyphenyl)-4,5-dimethyl-6-methylidenepyrimidine.

Molecular Properties

Compound Name1-(2-cyclohexa-1,5-dien-1-ylethyl)-2-(2-methoxyphenyl)-4,5-dimethyl-6-methylidenepyrimidine
PubChem CID143475176
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name1-(2-cyclohexa-1,5-dien-1-ylethyl)-2-(2-methoxyphenyl)-4,5-dimethyl-6-methylidenepyrimidine
SMILESC=C1C(C)=C(C)N=C(c2ccccc2OC)N1CCC1=CCCC=C1
InChIInChI=1S/C22H26N2O/c1-16-17(2)23-22(20-12-8-9-13-21(20)25-4)24(18(16)3)15-14-19-10-6-5-7-11-19/h6,8-13H,3,5,7,14-15H2,1-2,4H3
InChIKeyXFVPHUPMTFSZAC-UHFFFAOYSA-N
XLogP5.23
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.46
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexa-1,5-dien-1-yl-2-methoxybenzene
CID 18770062
2-cyclohexa-1,5-dien-1-ylethylbenzene;ethane
CID 143424026
3-(2-methoxyphenyl)-2-methyl-1,5-dihydropyrazole
CID 143583988
CID 145359118
CID 145359118
2-(2-methoxyphenyl)-1-methylpyrrole
CID 124706207
1-(cyclohexa-1,5-dien-1-ylmethyl)-N-[(E)-1-(2-methoxyphenyl)prop-1-enyl]-N-methylpiperidin-4-amine
CID 143660053
2-(2-methoxyphenyl)-4-methyl-5-propyl-3H-pyrrole
CID 160799002
2-(2-methoxyphenyl)-3-[6-[2-(2-methoxyphenyl)-4-[(4-methoxyphenyl)methylidene]-5-oxoimidazol-1-yl]hexyl]-5-[(4-methoxyphenyl)methylidene]imidazol-4-one
CID 4874701
3-[bis(2-methoxyethyl)amino]-4-(2-methoxyphenyl)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 110565402
N-[2-(2-methoxyphenyl)ethyl]-1-methylpiperidin-4-amine
CID 113218952
3-(2-methoxyphenyl)-5,6-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 2747821
[3-(2-methoxyphenyl)-1-methylpyrazol-4-yl]methanamine
CID 39095734

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexa-1,5-dien-1-ylethyl)-2-(2-methoxyphenyl)-4,5-dimethyl-6-methylidenepyrimidine?
The IUPAC name of 1-(2-cyclohexa-1,5-dien-1-ylethyl)-2-(2-methoxyphenyl)-4,5-dimethyl-6-methylidenepyrimidine (CID 143475176) is 1-(2-cyclohexa-1,5-dien-1-ylethyl)-2-(2-methoxyphenyl)-4,5-dimethyl-6-methylidenepyrimidine.
What is the SMILES notation for 1-(2-cyclohexa-1,5-dien-1-ylethyl)-2-(2-methoxyphenyl)-4,5-dimethyl-6-methylidenepyrimidine?
The canonical SMILES for 1-(2-cyclohexa-1,5-dien-1-ylethyl)-2-(2-methoxyphenyl)-4,5-dimethyl-6-methylidenepyrimidine is C=C1C(C)=C(C)N=C(c2ccccc2OC)N1CCC1=CCCC=C1.
What is the InChIKey of 1-(2-cyclohexa-1,5-dien-1-ylethyl)-2-(2-methoxyphenyl)-4,5-dimethyl-6-methylidenepyrimidine?
The InChIKey is XFVPHUPMTFSZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c1-16-17(2)23-22(20-12-8-9-13-21(20)25-4)24(18(16)3)15-14-19-10-6-5-7-11-19/h6,8-13H,3,5,7,14-15H2,1-2,4H3.
What are the key properties of 1-(2-cyclohexa-1,5-dien-1-ylethyl)-2-(2-methoxyphenyl)-4,5-dimethyl-6-methylidenepyrimidine?
1-(2-cyclohexa-1,5-dien-1-ylethyl)-2-(2-methoxyphenyl)-4,5-dimethyl-6-methylidenepyrimidine has a molecular weight of 334.46 g/mol, XLogP of 5.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexa-1,5-dien-1-ylethyl)-2-(2-methoxyphenyl)-4,5-dimethyl-6-methylidenepyrimidine is sourced from PubChem (CID 143475176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).