4-bromo-2,6-dimethoxy-5-(4-methoxyphenyl)pyrimidine

C13H13BrN2O3 — CID 46868236

IUPAC4-bromo-2,6-dimethoxy-5-(4-methoxyphenyl)pyrimidine
SMILESCOc1ccc(-c2c(Br)nc(OC)nc2OC)cc1
InChIInChI=1S/C13H13BrN2O3/c1-17-9-6-4-8(5-7-9)10-11(14)15-13(19-3)16-12(10)18-2/h4-7H,1-3H3
InChIKeyYJWJWXGBOMTCTA-UHFFFAOYSA-N
MW325.16 g/mol
LogP2.93
Rot. Bonds4

About 4-bromo-2,6-dimethoxy-5-(4-methoxyphenyl)pyrimidine

4-bromo-2,6-dimethoxy-5-(4-methoxyphenyl)pyrimidine (PubChem CID 46868236) has the molecular formula C13H13BrN2O3 and a molecular weight of 325.16 g/mol. Its IUPAC name is 4-bromo-2,6-dimethoxy-5-(4-methoxyphenyl)pyrimidine.

Molecular Properties

Compound Name4-bromo-2,6-dimethoxy-5-(4-methoxyphenyl)pyrimidine
PubChem CID46868236
Molecular FormulaC13H13BrN2O3
Molecular Weight325.16 g/mol
Exact Mass324.01
IUPAC Name4-bromo-2,6-dimethoxy-5-(4-methoxyphenyl)pyrimidine
SMILESCOc1ccc(-c2c(Br)nc(OC)nc2OC)cc1
InChIInChI=1S/C13H13BrN2O3/c1-17-9-6-4-8(5-7-9)10-11(14)15-13(19-3)16-12(10)18-2/h4-7H,1-3H3
InChIKeyYJWJWXGBOMTCTA-UHFFFAOYSA-N
XLogP2.93
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.16
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dimethoxy-5-(4-methoxyphenyl)pyrimidine?
The IUPAC name of 4-bromo-2,6-dimethoxy-5-(4-methoxyphenyl)pyrimidine (CID 46868236) is 4-bromo-2,6-dimethoxy-5-(4-methoxyphenyl)pyrimidine.
What is the SMILES notation for 4-bromo-2,6-dimethoxy-5-(4-methoxyphenyl)pyrimidine?
The canonical SMILES for 4-bromo-2,6-dimethoxy-5-(4-methoxyphenyl)pyrimidine is COc1ccc(-c2c(Br)nc(OC)nc2OC)cc1.
What is the InChIKey of 4-bromo-2,6-dimethoxy-5-(4-methoxyphenyl)pyrimidine?
The InChIKey is YJWJWXGBOMTCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O3/c1-17-9-6-4-8(5-7-9)10-11(14)15-13(19-3)16-12(10)18-2/h4-7H,1-3H3.
What are the key properties of 4-bromo-2,6-dimethoxy-5-(4-methoxyphenyl)pyrimidine?
4-bromo-2,6-dimethoxy-5-(4-methoxyphenyl)pyrimidine has a molecular weight of 325.16 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dimethoxy-5-(4-methoxyphenyl)pyrimidine is sourced from PubChem (CID 46868236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).