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

C13H14N2O2 — CID 90464410

IUPAC2,4-dimethoxy-5-(4-methylphenyl)pyrimidine
SMILESCOc1ncc(-c2ccc(C)cc2)c(OC)n1
InChIInChI=1S/C13H14N2O2/c1-9-4-6-10(7-5-9)11-8-14-13(17-3)15-12(11)16-2/h4-8H,1-3H3
InChIKeyMMWQKYOIOCAWQB-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.47
Rot. Bonds3

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

2,4-dimethoxy-5-(4-methylphenyl)pyrimidine (PubChem CID 90464410) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2,4-dimethoxy-5-(4-methylphenyl)pyrimidine.

Molecular Properties

Compound Name2,4-dimethoxy-5-(4-methylphenyl)pyrimidine
PubChem CID90464410
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2,4-dimethoxy-5-(4-methylphenyl)pyrimidine
SMILESCOc1ncc(-c2ccc(C)cc2)c(OC)n1
InChIInChI=1S/C13H14N2O2/c1-9-4-6-10(7-5-9)11-8-14-13(17-3)15-12(11)16-2/h4-8H,1-3H3
InChIKeyMMWQKYOIOCAWQB-UHFFFAOYSA-N
XLogP2.47
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.47
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-methylphenyl)pyrimidine?
The IUPAC name of 2,4-dimethoxy-5-(4-methylphenyl)pyrimidine (CID 90464410) is 2,4-dimethoxy-5-(4-methylphenyl)pyrimidine.
What is the SMILES notation for 2,4-dimethoxy-5-(4-methylphenyl)pyrimidine?
The canonical SMILES for 2,4-dimethoxy-5-(4-methylphenyl)pyrimidine is COc1ncc(-c2ccc(C)cc2)c(OC)n1.
What is the InChIKey of 2,4-dimethoxy-5-(4-methylphenyl)pyrimidine?
The InChIKey is MMWQKYOIOCAWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-9-4-6-10(7-5-9)11-8-14-13(17-3)15-12(11)16-2/h4-8H,1-3H3.
What are the key properties of 2,4-dimethoxy-5-(4-methylphenyl)pyrimidine?
2,4-dimethoxy-5-(4-methylphenyl)pyrimidine has a molecular weight of 230.27 g/mol, XLogP of 2.47, 3 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-methylphenyl)pyrimidine is sourced from PubChem (CID 90464410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).