5-(2,4,6-trimethoxyphenyl)pyrimidine

C13H14N2O3 — CID 132596164

IUPAC5-(2,4,6-trimethoxyphenyl)pyrimidine
SMILESCOc1cc(OC)c(-c2cncnc2)c(OC)c1
InChIInChI=1S/C13H14N2O3/c1-16-10-4-11(17-2)13(12(5-10)18-3)9-6-14-8-15-7-9/h4-8H,1-3H3
InChIKeyVMGPDCNBXWRKGS-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.17
Rot. Bonds4

About 5-(2,4,6-trimethoxyphenyl)pyrimidine

5-(2,4,6-trimethoxyphenyl)pyrimidine (PubChem CID 132596164) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 5-(2,4,6-trimethoxyphenyl)pyrimidine.

Molecular Properties

Compound Name5-(2,4,6-trimethoxyphenyl)pyrimidine
PubChem CID132596164
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name5-(2,4,6-trimethoxyphenyl)pyrimidine
SMILESCOc1cc(OC)c(-c2cncnc2)c(OC)c1
InChIInChI=1S/C13H14N2O3/c1-16-10-4-11(17-2)13(12(5-10)18-3)9-6-14-8-15-7-9/h4-8H,1-3H3
InChIKeyVMGPDCNBXWRKGS-UHFFFAOYSA-N
XLogP2.17
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,6-dimethoxy-5-pyrimidin-5-ylnaphthalen-1-yl)pyrimidine
CID 169050262
chloro-tris(2,4,6-trimethoxyphenyl)silane
CID 88962916
1,2,3,4,5-pentafluoro-6-(2,4,6-trimethoxyphenyl)benzene
CID 102431568
2-methyl-5-(2,4,6-trimethoxyphenyl)aniline
CID 61025430
2-[4,6-bis(2-hydroxy-4,6-dimethoxyphenyl)-1,3,5-triazin-2-yl]-3,5-dimethoxyphenol
CID 136758978
5-[2-(3,4,5-trimethoxyphenyl)-1-benzothiophen-3-yl]pyrimidine
CID 154723415
2-fluoro-4-(2,4,6-trimethoxyphenyl)aniline
CID 61025671
4-chloro-6-methyl-2-(2,4,6-trimethoxyphenyl)pyrimidine
CID 43557849
3-(2,4-dimethoxyphenyl)pyridine
CID 46316965
(3,5-dimethoxy-2-pyridin-4-ylphenyl) N,N-diethylcarbamate
CID 24851364
1-[3-(2,4,6-trimethoxyphenyl)phenyl]ethanamine
CID 61032618
6,13-bis(2,4,6-trimethoxyphenyl)pentacene
CID 141153743

Frequently Asked Questions

What is the IUPAC name of 5-(2,4,6-trimethoxyphenyl)pyrimidine?
The IUPAC name of 5-(2,4,6-trimethoxyphenyl)pyrimidine (CID 132596164) is 5-(2,4,6-trimethoxyphenyl)pyrimidine.
What is the SMILES notation for 5-(2,4,6-trimethoxyphenyl)pyrimidine?
The canonical SMILES for 5-(2,4,6-trimethoxyphenyl)pyrimidine is COc1cc(OC)c(-c2cncnc2)c(OC)c1.
What is the InChIKey of 5-(2,4,6-trimethoxyphenyl)pyrimidine?
The InChIKey is VMGPDCNBXWRKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-16-10-4-11(17-2)13(12(5-10)18-3)9-6-14-8-15-7-9/h4-8H,1-3H3.
What are the key properties of 5-(2,4,6-trimethoxyphenyl)pyrimidine?
5-(2,4,6-trimethoxyphenyl)pyrimidine has a molecular weight of 246.27 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4,6-trimethoxyphenyl)pyrimidine is sourced from PubChem (CID 132596164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).