4-[2-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]benzene-1,3-diol

C25H22N2O5 — CID 162670564

IUPAC4-[2-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]benzene-1,3-diol
SMILESCOc1cc(-c2cc(-c3ccc(O)cc3O)nc(-c3ccccc3)n2)cc(OC)c1OC
InChIInChI=1S/C25H22N2O5/c1-30-22-11-16(12-23(31-2)24(22)32-3)19-14-20(18-10-9-17(28)13-21(18)29)27-25(26-19)15-7-5-4-6-8-15/h4-14,28-29H,1-3H3
InChIKeySAEDGNQHIAFYSY-UHFFFAOYSA-N
MW430.46 g/mol
LogP4.91
Rot. Bonds6

About 4-[2-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]benzene-1,3-diol

4-[2-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]benzene-1,3-diol (PubChem CID 162670564) has the molecular formula C25H22N2O5 and a molecular weight of 430.46 g/mol. Its IUPAC name is 4-[2-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[2-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]benzene-1,3-diol
PubChem CID162670564
Molecular FormulaC25H22N2O5
Molecular Weight430.46 g/mol
Exact Mass430.15
IUPAC Name4-[2-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]benzene-1,3-diol
SMILESCOc1cc(-c2cc(-c3ccc(O)cc3O)nc(-c3ccccc3)n2)cc(OC)c1OC
InChIInChI=1S/C25H22N2O5/c1-30-22-11-16(12-23(31-2)24(22)32-3)19-14-20(18-10-9-17(28)13-21(18)29)27-25(26-19)15-7-5-4-6-8-15/h4-14,28-29H,1-3H3
InChIKeySAEDGNQHIAFYSY-UHFFFAOYSA-N
XLogP4.91
TPSA93.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(2-Methoxy-4-methylphenoxy)quinazolin-1-ium-2-yl]phenolate
CID 1398255
2-[5-(3,4-Dimethoxyphenyl)pyrimidin-4-yl]-5-ethoxyphenol
CID 4895475
Phenol, 4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-2,6-dimethoxy-
CID 1842049
2-Amino-4-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidine-5-carbonitrile
CID 166626065
2-Chloro-4-(3,4-dimethoxyphenyl)-6-phenylpyrimidine
CID 2058821
2-[2-Amino-5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-5-methoxyphenol
CID 4896012
2-(5-(3,4-Dimethoxyphenyl)pyrimidin-4-yl)-5-methoxyphenol
CID 4971528
4-(3,4-Dimethoxyphenyl)-2-methoxy-6-phenylpyrimidine
CID 629427
4-(3,4-Dimethoxyphenyl)-6-phenyl-2-(1-pyrrolidinyl)pyrimidine
CID 630454
2,4-Diamino-6-(3,4,5-trimethoxybenzyl)pyrimidine
CID 452507
N-benzyl-2-(3,4,5-trimethoxyphenyl)-4-quinazolinamine
CID 6615394
N,N-diethyl-4-(2,4,5-trimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
CID 9848137

Frequently Asked Questions

What is the IUPAC name of 4-[2-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]benzene-1,3-diol?
The IUPAC name of 4-[2-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]benzene-1,3-diol (CID 162670564) is 4-[2-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]benzene-1,3-diol.
What is the SMILES notation for 4-[2-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]benzene-1,3-diol?
The canonical SMILES for 4-[2-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]benzene-1,3-diol is COc1cc(-c2cc(-c3ccc(O)cc3O)nc(-c3ccccc3)n2)cc(OC)c1OC.
What is the InChIKey of 4-[2-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]benzene-1,3-diol?
The InChIKey is SAEDGNQHIAFYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O5/c1-30-22-11-16(12-23(31-2)24(22)32-3)19-14-20(18-10-9-17(28)13-21(18)29)27-25(26-19)15-7-5-4-6-8-15/h4-14,28-29H,1-3H3.
What are the key properties of 4-[2-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]benzene-1,3-diol?
4-[2-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]benzene-1,3-diol has a molecular weight of 430.46 g/mol, XLogP of 4.91, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]benzene-1,3-diol is sourced from PubChem (CID 162670564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).