6-(2-ethenyl-4,5-dimethoxyphenyl)-2-phenylpyrimidin-4-amine

C20H19N3O2 — CID 15635121

IUPAC6-(2-ethenyl-4,5-dimethoxyphenyl)-2-phenylpyrimidin-4-amine
SMILESC=Cc1cc(OC)c(OC)cc1-c1cc(N)nc(-c2ccccc2)n1
InChIInChI=1S/C20H19N3O2/c1-4-13-10-17(24-2)18(25-3)11-15(13)16-12-19(21)23-20(22-16)14-8-6-5-7-9-14/h4-12H,1H2,2-3H3,(H2,21,22,23)
InChIKeyCJLYOJOMQPHMHL-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.05
Rot. Bonds5

About 6-(2-ethenyl-4,5-dimethoxyphenyl)-2-phenylpyrimidin-4-amine

6-(2-ethenyl-4,5-dimethoxyphenyl)-2-phenylpyrimidin-4-amine (PubChem CID 15635121) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 6-(2-ethenyl-4,5-dimethoxyphenyl)-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-ethenyl-4,5-dimethoxyphenyl)-2-phenylpyrimidin-4-amine
PubChem CID15635121
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name6-(2-ethenyl-4,5-dimethoxyphenyl)-2-phenylpyrimidin-4-amine
SMILESC=Cc1cc(OC)c(OC)cc1-c1cc(N)nc(-c2ccccc2)n1
InChIInChI=1S/C20H19N3O2/c1-4-13-10-17(24-2)18(25-3)11-15(13)16-12-19(21)23-20(22-16)14-8-6-5-7-9-14/h4-12H,1H2,2-3H3,(H2,21,22,23)
InChIKeyCJLYOJOMQPHMHL-UHFFFAOYSA-N
XLogP4.05
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-6-prop-2-enoxypyrimidin-4-amine
CID 112559862
6-ethoxy-2-phenylpyrimidin-4-amine
CID 14242675
6-(3,5-dimethylphenyl)-2-phenylpyrimidin-4-amine
CID 115915041
2-phenyl-6-(3-phenylphenyl)pyrimidin-4-amine
CID 138714829
6-(5-methylthiophen-2-yl)-2-phenylpyrimidin-4-amine
CID 112559736
1,1'-biphenyl;1-ethenyl-2-methoxybenzene
CID 158702776
2-methoxy-6-phenylpyrimidin-4-amine
CID 83848071
2-(2-ethenylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 146639140
1-ethenyl-6,7-dimethoxy-3-phenylisoquinoline
CID 134913602
1,2,4-trimethoxy-5-phenylbenzene
CID 18788699
2-(3-fluorophenyl)-6-phenylpyrimidin-4-amine
CID 62192602
6-[(E)-but-2-enoxy]-2-phenylpyrimidin-4-amine
CID 112559904

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethenyl-4,5-dimethoxyphenyl)-2-phenylpyrimidin-4-amine?
The IUPAC name of 6-(2-ethenyl-4,5-dimethoxyphenyl)-2-phenylpyrimidin-4-amine (CID 15635121) is 6-(2-ethenyl-4,5-dimethoxyphenyl)-2-phenylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-ethenyl-4,5-dimethoxyphenyl)-2-phenylpyrimidin-4-amine?
The canonical SMILES for 6-(2-ethenyl-4,5-dimethoxyphenyl)-2-phenylpyrimidin-4-amine is C=Cc1cc(OC)c(OC)cc1-c1cc(N)nc(-c2ccccc2)n1.
What is the InChIKey of 6-(2-ethenyl-4,5-dimethoxyphenyl)-2-phenylpyrimidin-4-amine?
The InChIKey is CJLYOJOMQPHMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-4-13-10-17(24-2)18(25-3)11-15(13)16-12-19(21)23-20(22-16)14-8-6-5-7-9-14/h4-12H,1H2,2-3H3,(H2,21,22,23).
What are the key properties of 6-(2-ethenyl-4,5-dimethoxyphenyl)-2-phenylpyrimidin-4-amine?
6-(2-ethenyl-4,5-dimethoxyphenyl)-2-phenylpyrimidin-4-amine has a molecular weight of 333.39 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethenyl-4,5-dimethoxyphenyl)-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 15635121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).