(6-phenylpyrimidin-4-yl)-(3,4,5-trimethoxyphenyl)methanone

C20H18N2O4 — CID 53364049

IUPAC(6-phenylpyrimidin-4-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cc(-c3ccccc3)ncn2)cc(OC)c1OC
InChIInChI=1S/C20H18N2O4/c1-24-17-9-14(10-18(25-2)20(17)26-3)19(23)16-11-15(21-12-22-16)13-7-5-4-6-8-13/h4-12H,1-3H3
InChIKeyWORHRNDUVHXVIQ-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.40
Rot. Bonds6

About (6-phenylpyrimidin-4-yl)-(3,4,5-trimethoxyphenyl)methanone

(6-phenylpyrimidin-4-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 53364049) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is (6-phenylpyrimidin-4-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(6-phenylpyrimidin-4-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID53364049
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name(6-phenylpyrimidin-4-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cc(-c3ccccc3)ncn2)cc(OC)c1OC
InChIInChI=1S/C20H18N2O4/c1-24-17-9-14(10-18(25-2)20(17)26-3)19(23)16-11-15(21-12-22-16)13-7-5-4-6-8-13/h4-12H,1-3H3
InChIKeyWORHRNDUVHXVIQ-UHFFFAOYSA-N
XLogP3.40
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3-phenylphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 53364048
(3-phenyl-1,2,4-oxadiazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 127036065
6-(2-methoxyphenyl)pyrimidine-4-carboxylic acid
CID 82288708
(3-phenyl-1-benzothiophen-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 50907273
(4,5-diphenyl-1H-imidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 102234991
[3-(hydroxymethyl)-4,5-dimethoxyphenyl]-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 118216244
(2-anilino-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone;hydrochloride
CID 53364342
(4-methoxy-2-phenyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 122183344
[4-phenyl-1-(3,4,5-trimethoxyphenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 155525980
[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 121150019
(2-phenylindolizin-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 2359773
isoquinolin-1-yl-(3,4,5-trimethoxyphenyl)methanone
CID 102334723

Frequently Asked Questions

What is the IUPAC name of (6-phenylpyrimidin-4-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (6-phenylpyrimidin-4-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 53364049) is (6-phenylpyrimidin-4-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (6-phenylpyrimidin-4-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (6-phenylpyrimidin-4-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2cc(-c3ccccc3)ncn2)cc(OC)c1OC.
What is the InChIKey of (6-phenylpyrimidin-4-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is WORHRNDUVHXVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-24-17-9-14(10-18(25-2)20(17)26-3)19(23)16-11-15(21-12-22-16)13-7-5-4-6-8-13/h4-12H,1-3H3.
What are the key properties of (6-phenylpyrimidin-4-yl)-(3,4,5-trimethoxyphenyl)methanone?
(6-phenylpyrimidin-4-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 350.37 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-phenylpyrimidin-4-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 53364049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).