5-butyl-2-(3,4,5-trimethoxyphenyl)pyrimidine

C17H22N2O3 — CID 73333273

IUPAC5-butyl-2-(3,4,5-trimethoxyphenyl)pyrimidine
SMILESCCCCc1cnc(-c2cc(OC)c(OC)c(OC)c2)nc1
InChIInChI=1S/C17H22N2O3/c1-5-6-7-12-10-18-17(19-11-12)13-8-14(20-2)16(22-4)15(9-13)21-3/h8-11H,5-7H2,1-4H3
InChIKeyZJNJRQJKDYOJGJ-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.51
Rot. Bonds7

About 5-butyl-2-(3,4,5-trimethoxyphenyl)pyrimidine

5-butyl-2-(3,4,5-trimethoxyphenyl)pyrimidine (PubChem CID 73333273) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 5-butyl-2-(3,4,5-trimethoxyphenyl)pyrimidine.

Molecular Properties

Compound Name5-butyl-2-(3,4,5-trimethoxyphenyl)pyrimidine
PubChem CID73333273
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name5-butyl-2-(3,4,5-trimethoxyphenyl)pyrimidine
SMILESCCCCc1cnc(-c2cc(OC)c(OC)c(OC)c2)nc1
InChIInChI=1S/C17H22N2O3/c1-5-6-7-12-10-18-17(19-11-12)13-8-14(20-2)16(22-4)15(9-13)21-3/h8-11H,5-7H2,1-4H3
InChIKeyZJNJRQJKDYOJGJ-UHFFFAOYSA-N
XLogP3.51
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-butyl-2-(3,4,5-trimethoxyphenyl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-butyl-2-(4-butylphenyl)pyrimidine
CID 614558
2-(4-butylphenyl)-5-propylpyrimidine
CID 611185
2-[4-(4-butylphenyl)phenyl]-5-propylpyrimidine
CID 20625407
3-(4-butylphenoxy)-4,5-dimethoxybenzoic acid
CID 142698612
2-(4-decylphenyl)-5-pentadecylpyrimidine
CID 139803474
2-(4-dodecylphenyl)-5-pentadecylpyrimidine
CID 139803541
5-hexyl-2-(4-nonylphenyl)pyrimidine
CID 14227569
5-heptyl-2-(4-tridecylphenyl)pyrimidine
CID 139803426
5-octyl-2-(4-octylphenyl)pyrimidine
CID 18544772
2-[4-[(4-methoxyphenyl)methoxy]phenyl]-5-pentylpyrimidine
CID 21288727
5-dodecyl-2-[4-[7-[4-(4-methoxyphenyl)phenoxy]heptoxy]phenyl]pyrimidine
CID 101389070
2-[4-(4-hexylphenyl)phenyl]-5-octylpyrimidine
CID 14178029

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-(3,4,5-trimethoxyphenyl)pyrimidine?
The IUPAC name of 5-butyl-2-(3,4,5-trimethoxyphenyl)pyrimidine (CID 73333273) is 5-butyl-2-(3,4,5-trimethoxyphenyl)pyrimidine.
What is the SMILES notation for 5-butyl-2-(3,4,5-trimethoxyphenyl)pyrimidine?
The canonical SMILES for 5-butyl-2-(3,4,5-trimethoxyphenyl)pyrimidine is CCCCc1cnc(-c2cc(OC)c(OC)c(OC)c2)nc1.
What is the InChIKey of 5-butyl-2-(3,4,5-trimethoxyphenyl)pyrimidine?
The InChIKey is ZJNJRQJKDYOJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-5-6-7-12-10-18-17(19-11-12)13-8-14(20-2)16(22-4)15(9-13)21-3/h8-11H,5-7H2,1-4H3.
What are the key properties of 5-butyl-2-(3,4,5-trimethoxyphenyl)pyrimidine?
5-butyl-2-(3,4,5-trimethoxyphenyl)pyrimidine has a molecular weight of 302.37 g/mol, XLogP of 3.51, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-(3,4,5-trimethoxyphenyl)pyrimidine is sourced from PubChem (CID 73333273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).