6-[2-(2-methoxy-3,5-dimethylphenyl)ethenyl]-4,4-dimethyl-1,3-dihydropyrimidin-2-one

C17H22N2O2 — CID 165341476

IUPAC6-[2-(2-methoxy-3,5-dimethylphenyl)ethenyl]-4,4-dimethyl-1,3-dihydropyrimidin-2-one
SMILESCOc1c(C)cc(C)cc1C=CC1=CC(C)(C)NC(=O)N1
InChIInChI=1S/C17H22N2O2/c1-11-8-12(2)15(21-5)13(9-11)6-7-14-10-17(3,4)19-16(20)18-14/h6-10H,1-5H3,(H2,18,19,20)
InChIKeyKZTQNDAYHIXFDL-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.30
Rot. Bonds3

About 6-[2-(2-methoxy-3,5-dimethylphenyl)ethenyl]-4,4-dimethyl-1,3-dihydropyrimidin-2-one

6-[2-(2-methoxy-3,5-dimethylphenyl)ethenyl]-4,4-dimethyl-1,3-dihydropyrimidin-2-one (PubChem CID 165341476) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 6-[2-(2-methoxy-3,5-dimethylphenyl)ethenyl]-4,4-dimethyl-1,3-dihydropyrimidin-2-one.

Molecular Properties

Compound Name6-[2-(2-methoxy-3,5-dimethylphenyl)ethenyl]-4,4-dimethyl-1,3-dihydropyrimidin-2-one
PubChem CID165341476
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name6-[2-(2-methoxy-3,5-dimethylphenyl)ethenyl]-4,4-dimethyl-1,3-dihydropyrimidin-2-one
SMILESCOc1c(C)cc(C)cc1C=CC1=CC(C)(C)NC(=O)N1
InChIInChI=1S/C17H22N2O2/c1-11-8-12(2)15(21-5)13(9-11)6-7-14-10-17(3,4)19-16(20)18-14/h6-10H,1-5H3,(H2,18,19,20)
InChIKeyKZTQNDAYHIXFDL-UHFFFAOYSA-N
XLogP3.30
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(2-methoxy-3,5-dimethylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 50886258
(2-methoxy-3,5-dimethylphenyl)methanimine
CID 176965340
ethane;2-methoxy-1,3,5-trimethylbenzene
CID 142174927
4-[3-(2-methoxy-3,5-dimethylphenyl)prop-2-enoyl]-N,N-dimethylbenzamide
CID 70015975
(E)-3-(2-methoxy-3,5-dimethylphenyl)-2-methylprop-2-enoic acid
CID 116866127
(E)-3-(3-fluoro-2-methoxy-5-methylphenyl)prop-2-en-1-amine
CID 117285354
[(2-methoxy-3,5-dimethylphenyl)methylideneamino]thiourea
CID 50886436
2-[(E)-2-(3-tert-butyl-2-methoxy-5-methylphenyl)ethenyl]-5-methylbenzaldehyde
CID 87415054
ethane;1-ethyl-2-methoxy-3,5-dimethylbenzene
CID 169219679
3-[(E)-[(3E)-3-[(3-formyl-2-methoxy-5-methylphenyl)methylidene]-2-oxocyclohexylidene]methyl]-2-methoxy-5-methylbenzaldehyde
CID 139194689
2-(2-methoxy-3,5-dimethylphenyl)acetamide
CID 82491159
2-fluoro-3,4-dimethoxy-5-methylbenzaldehyde
CID 105451300

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-methoxy-3,5-dimethylphenyl)ethenyl]-4,4-dimethyl-1,3-dihydropyrimidin-2-one?
The IUPAC name of 6-[2-(2-methoxy-3,5-dimethylphenyl)ethenyl]-4,4-dimethyl-1,3-dihydropyrimidin-2-one (CID 165341476) is 6-[2-(2-methoxy-3,5-dimethylphenyl)ethenyl]-4,4-dimethyl-1,3-dihydropyrimidin-2-one.
What is the SMILES notation for 6-[2-(2-methoxy-3,5-dimethylphenyl)ethenyl]-4,4-dimethyl-1,3-dihydropyrimidin-2-one?
The canonical SMILES for 6-[2-(2-methoxy-3,5-dimethylphenyl)ethenyl]-4,4-dimethyl-1,3-dihydropyrimidin-2-one is COc1c(C)cc(C)cc1C=CC1=CC(C)(C)NC(=O)N1.
What is the InChIKey of 6-[2-(2-methoxy-3,5-dimethylphenyl)ethenyl]-4,4-dimethyl-1,3-dihydropyrimidin-2-one?
The InChIKey is KZTQNDAYHIXFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-11-8-12(2)15(21-5)13(9-11)6-7-14-10-17(3,4)19-16(20)18-14/h6-10H,1-5H3,(H2,18,19,20).
What are the key properties of 6-[2-(2-methoxy-3,5-dimethylphenyl)ethenyl]-4,4-dimethyl-1,3-dihydropyrimidin-2-one?
6-[2-(2-methoxy-3,5-dimethylphenyl)ethenyl]-4,4-dimethyl-1,3-dihydropyrimidin-2-one has a molecular weight of 286.38 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-methoxy-3,5-dimethylphenyl)ethenyl]-4,4-dimethyl-1,3-dihydropyrimidin-2-one is sourced from PubChem (CID 165341476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).