2,4-dimethoxy-5-(4-propylphenyl)pyrimidine

C15H18N2O2 — CID 71176850

IUPAC2,4-dimethoxy-5-(4-propylphenyl)pyrimidine
SMILESCCCc1ccc(-c2cnc(OC)nc2OC)cc1
InChIInChI=1S/C15H18N2O2/c1-4-5-11-6-8-12(9-7-11)13-10-16-15(19-3)17-14(13)18-2/h6-10H,4-5H2,1-3H3
InChIKeyROEAPDZDJBLKOH-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.11
Rot. Bonds5

About 2,4-dimethoxy-5-(4-propylphenyl)pyrimidine

2,4-dimethoxy-5-(4-propylphenyl)pyrimidine (PubChem CID 71176850) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2,4-dimethoxy-5-(4-propylphenyl)pyrimidine.

Molecular Properties

Compound Name2,4-dimethoxy-5-(4-propylphenyl)pyrimidine
PubChem CID71176850
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2,4-dimethoxy-5-(4-propylphenyl)pyrimidine
SMILESCCCc1ccc(-c2cnc(OC)nc2OC)cc1
InChIInChI=1S/C15H18N2O2/c1-4-5-11-6-8-12(9-7-11)13-10-16-15(19-3)17-14(13)18-2/h6-10H,4-5H2,1-3H3
InChIKeyROEAPDZDJBLKOH-UHFFFAOYSA-N
XLogP3.11
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-5-(4-propylphenyl)pyrimidine?
The IUPAC name of 2,4-dimethoxy-5-(4-propylphenyl)pyrimidine (CID 71176850) is 2,4-dimethoxy-5-(4-propylphenyl)pyrimidine.
What is the SMILES notation for 2,4-dimethoxy-5-(4-propylphenyl)pyrimidine?
The canonical SMILES for 2,4-dimethoxy-5-(4-propylphenyl)pyrimidine is CCCc1ccc(-c2cnc(OC)nc2OC)cc1.
What is the InChIKey of 2,4-dimethoxy-5-(4-propylphenyl)pyrimidine?
The InChIKey is ROEAPDZDJBLKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-4-5-11-6-8-12(9-7-11)13-10-16-15(19-3)17-14(13)18-2/h6-10H,4-5H2,1-3H3.
What are the key properties of 2,4-dimethoxy-5-(4-propylphenyl)pyrimidine?
2,4-dimethoxy-5-(4-propylphenyl)pyrimidine has a molecular weight of 258.32 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-5-(4-propylphenyl)pyrimidine is sourced from PubChem (CID 71176850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).