4-naphthalen-1-yl-2-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidine

C29H24N2O3 — CID 162667639

IUPAC4-naphthalen-1-yl-2-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidine
SMILESCOc1cc(-c2cc(-c3cccc4ccccc34)nc(-c3ccccc3)n2)cc(OC)c1OC
InChIInChI=1S/C29H24N2O3/c1-32-26-16-21(17-27(33-2)28(26)34-3)24-18-25(31-29(30-24)20-11-5-4-6-12-20)23-15-9-13-19-10-7-8-14-22(19)23/h4-18H,1-3H3
InChIKeyYYWAOHIMIYFECF-UHFFFAOYSA-N
MW448.52 g/mol
LogP6.66
Rot. Bonds6

About 4-naphthalen-1-yl-2-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidine

4-naphthalen-1-yl-2-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidine (PubChem CID 162667639) has the molecular formula C29H24N2O3 and a molecular weight of 448.52 g/mol. Its IUPAC name is 4-naphthalen-1-yl-2-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidine.

Molecular Properties

Compound Name4-naphthalen-1-yl-2-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidine
PubChem CID162667639
Molecular FormulaC29H24N2O3
Molecular Weight448.52 g/mol
Exact Mass448.18
IUPAC Name4-naphthalen-1-yl-2-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidine
SMILESCOc1cc(-c2cc(-c3cccc4ccccc34)nc(-c3ccccc3)n2)cc(OC)c1OC
InChIInChI=1S/C29H24N2O3/c1-32-26-16-21(17-27(33-2)28(26)34-3)24-18-25(31-29(30-24)20-11-5-4-6-12-20)23-15-9-13-19-10-7-8-14-22(19)23/h4-18H,1-3H3
InChIKeyYYWAOHIMIYFECF-UHFFFAOYSA-N
XLogP6.66
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.52
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yl-2-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidine?
The IUPAC name of 4-naphthalen-1-yl-2-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidine (CID 162667639) is 4-naphthalen-1-yl-2-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidine.
What is the SMILES notation for 4-naphthalen-1-yl-2-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidine?
The canonical SMILES for 4-naphthalen-1-yl-2-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidine is COc1cc(-c2cc(-c3cccc4ccccc34)nc(-c3ccccc3)n2)cc(OC)c1OC.
What is the InChIKey of 4-naphthalen-1-yl-2-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidine?
The InChIKey is YYWAOHIMIYFECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N2O3/c1-32-26-16-21(17-27(33-2)28(26)34-3)24-18-25(31-29(30-24)20-11-5-4-6-12-20)23-15-9-13-19-10-7-8-14-22(19)23/h4-18H,1-3H3.
What are the key properties of 4-naphthalen-1-yl-2-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidine?
4-naphthalen-1-yl-2-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidine has a molecular weight of 448.52 g/mol, XLogP of 6.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-yl-2-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidine is sourced from PubChem (CID 162667639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).