2,4-dimethoxy-5-(3-methoxyphenyl)pyrimidine

C13H14N2O3 — CID 76538776

IUPAC2,4-dimethoxy-5-(3-methoxyphenyl)pyrimidine
SMILESCOc1cccc(-c2cnc(OC)nc2OC)c1
InChIInChI=1S/C13H14N2O3/c1-16-10-6-4-5-9(7-10)11-8-14-13(18-3)15-12(11)17-2/h4-8H,1-3H3
InChIKeyLEOKCCFBVVRQPR-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.17
Rot. Bonds4

About 2,4-dimethoxy-5-(3-methoxyphenyl)pyrimidine

2,4-dimethoxy-5-(3-methoxyphenyl)pyrimidine (PubChem CID 76538776) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2,4-dimethoxy-5-(3-methoxyphenyl)pyrimidine.

Molecular Properties

Compound Name2,4-dimethoxy-5-(3-methoxyphenyl)pyrimidine
PubChem CID76538776
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name2,4-dimethoxy-5-(3-methoxyphenyl)pyrimidine
SMILESCOc1cccc(-c2cnc(OC)nc2OC)c1
InChIInChI=1S/C13H14N2O3/c1-16-10-6-4-5-9(7-10)11-8-14-13(18-3)15-12(11)17-2/h4-8H,1-3H3
InChIKeyLEOKCCFBVVRQPR-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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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-5-(3-methoxyphenyl)pyrimidine?
The IUPAC name of 2,4-dimethoxy-5-(3-methoxyphenyl)pyrimidine (CID 76538776) is 2,4-dimethoxy-5-(3-methoxyphenyl)pyrimidine.
What is the SMILES notation for 2,4-dimethoxy-5-(3-methoxyphenyl)pyrimidine?
The canonical SMILES for 2,4-dimethoxy-5-(3-methoxyphenyl)pyrimidine is COc1cccc(-c2cnc(OC)nc2OC)c1.
What is the InChIKey of 2,4-dimethoxy-5-(3-methoxyphenyl)pyrimidine?
The InChIKey is LEOKCCFBVVRQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-16-10-6-4-5-9(7-10)11-8-14-13(18-3)15-12(11)17-2/h4-8H,1-3H3.
What are the key properties of 2,4-dimethoxy-5-(3-methoxyphenyl)pyrimidine?
2,4-dimethoxy-5-(3-methoxyphenyl)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 2,4-dimethoxy-5-(3-methoxyphenyl)pyrimidine is sourced from PubChem (CID 76538776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).