4-(4-methoxyphenyl)-2-pyridin-2-yl-6-(3,4,5-trimethoxyphenyl)pyrimidine

C25H23N3O4 — CID 90680976

IUPAC4-(4-methoxyphenyl)-2-pyridin-2-yl-6-(3,4,5-trimethoxyphenyl)pyrimidine
SMILESCOc1ccc(-c2cc(-c3cc(OC)c(OC)c(OC)c3)nc(-c3ccccn3)n2)cc1
InChIInChI=1S/C25H23N3O4/c1-29-18-10-8-16(9-11-18)20-15-21(28-25(27-20)19-7-5-6-12-26-19)17-13-22(30-2)24(32-4)23(14-17)31-3/h5-15H,1-4H3
InChIKeyCHMAODGGPCMYPS-UHFFFAOYSA-N
MW429.48 g/mol
LogP4.91
Rot. Bonds7

About 4-(4-methoxyphenyl)-2-pyridin-2-yl-6-(3,4,5-trimethoxyphenyl)pyrimidine

4-(4-methoxyphenyl)-2-pyridin-2-yl-6-(3,4,5-trimethoxyphenyl)pyrimidine (PubChem CID 90680976) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2-pyridin-2-yl-6-(3,4,5-trimethoxyphenyl)pyrimidine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2-pyridin-2-yl-6-(3,4,5-trimethoxyphenyl)pyrimidine
PubChem CID90680976
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC Name4-(4-methoxyphenyl)-2-pyridin-2-yl-6-(3,4,5-trimethoxyphenyl)pyrimidine
SMILESCOc1ccc(-c2cc(-c3cc(OC)c(OC)c(OC)c3)nc(-c3ccccn3)n2)cc1
InChIInChI=1S/C25H23N3O4/c1-29-18-10-8-16(9-11-18)20-15-21(28-25(27-20)19-7-5-6-12-26-19)17-13-22(30-2)24(32-4)23(14-17)31-3/h5-15H,1-4H3
InChIKeyCHMAODGGPCMYPS-UHFFFAOYSA-N
XLogP4.91
TPSA75.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2-pyridin-2-yl-6-(3,4,5-trimethoxyphenyl)pyrimidine?
The IUPAC name of 4-(4-methoxyphenyl)-2-pyridin-2-yl-6-(3,4,5-trimethoxyphenyl)pyrimidine (CID 90680976) is 4-(4-methoxyphenyl)-2-pyridin-2-yl-6-(3,4,5-trimethoxyphenyl)pyrimidine.
What is the SMILES notation for 4-(4-methoxyphenyl)-2-pyridin-2-yl-6-(3,4,5-trimethoxyphenyl)pyrimidine?
The canonical SMILES for 4-(4-methoxyphenyl)-2-pyridin-2-yl-6-(3,4,5-trimethoxyphenyl)pyrimidine is COc1ccc(-c2cc(-c3cc(OC)c(OC)c(OC)c3)nc(-c3ccccn3)n2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2-pyridin-2-yl-6-(3,4,5-trimethoxyphenyl)pyrimidine?
The InChIKey is CHMAODGGPCMYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4/c1-29-18-10-8-16(9-11-18)20-15-21(28-25(27-20)19-7-5-6-12-26-19)17-13-22(30-2)24(32-4)23(14-17)31-3/h5-15H,1-4H3.
What are the key properties of 4-(4-methoxyphenyl)-2-pyridin-2-yl-6-(3,4,5-trimethoxyphenyl)pyrimidine?
4-(4-methoxyphenyl)-2-pyridin-2-yl-6-(3,4,5-trimethoxyphenyl)pyrimidine has a molecular weight of 429.48 g/mol, XLogP of 4.91, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2-pyridin-2-yl-6-(3,4,5-trimethoxyphenyl)pyrimidine is sourced from PubChem (CID 90680976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).