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

C14H16N2O2 — CID 116903924

IUPAC4-(4,5-dimethoxy-2-methylphenyl)-2-methylpyrimidine
SMILESCOc1cc(C)c(-c2ccnc(C)n2)cc1OC
InChIInChI=1S/C14H16N2O2/c1-9-7-13(17-3)14(18-4)8-11(9)12-5-6-15-10(2)16-12/h5-8H,1-4H3
InChIKeyYCDBQLFYFGFKQV-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.78
Rot. Bonds3

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

4-(4,5-dimethoxy-2-methylphenyl)-2-methylpyrimidine (PubChem CID 116903924) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-(4,5-dimethoxy-2-methylphenyl)-2-methylpyrimidine.

Molecular Properties

Compound Name4-(4,5-dimethoxy-2-methylphenyl)-2-methylpyrimidine
PubChem CID116903924
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name4-(4,5-dimethoxy-2-methylphenyl)-2-methylpyrimidine
SMILESCOc1cc(C)c(-c2ccnc(C)n2)cc1OC
InChIInChI=1S/C14H16N2O2/c1-9-7-13(17-3)14(18-4)8-11(9)12-5-6-15-10(2)16-12/h5-8H,1-4H3
InChIKeyYCDBQLFYFGFKQV-UHFFFAOYSA-N
XLogP2.78
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dimethoxy-2-methylphenyl)-2-methylpyrimidine?
The IUPAC name of 4-(4,5-dimethoxy-2-methylphenyl)-2-methylpyrimidine (CID 116903924) is 4-(4,5-dimethoxy-2-methylphenyl)-2-methylpyrimidine.
What is the SMILES notation for 4-(4,5-dimethoxy-2-methylphenyl)-2-methylpyrimidine?
The canonical SMILES for 4-(4,5-dimethoxy-2-methylphenyl)-2-methylpyrimidine is COc1cc(C)c(-c2ccnc(C)n2)cc1OC.
What is the InChIKey of 4-(4,5-dimethoxy-2-methylphenyl)-2-methylpyrimidine?
The InChIKey is YCDBQLFYFGFKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-9-7-13(17-3)14(18-4)8-11(9)12-5-6-15-10(2)16-12/h5-8H,1-4H3.
What are the key properties of 4-(4,5-dimethoxy-2-methylphenyl)-2-methylpyrimidine?
4-(4,5-dimethoxy-2-methylphenyl)-2-methylpyrimidine has a molecular weight of 244.29 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dimethoxy-2-methylphenyl)-2-methylpyrimidine is sourced from PubChem (CID 116903924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).