5-methyl-2,4-diphenoxypyrimidine

C17H14N2O2 — CID 3008442

IUPAC5-methyl-2,4-diphenoxypyrimidine
SMILESCc1cnc(Oc2ccccc2)nc1Oc1ccccc1
InChIInChI=1S/C17H14N2O2/c1-13-12-18-17(21-15-10-6-3-7-11-15)19-16(13)20-14-8-4-2-5-9-14/h2-12H,1H3
InChIKeyPKUIERHEKOUWQG-UHFFFAOYSA-N
MW278.31 g/mol
LogP4.37
Rot. Bonds4

About 5-methyl-2,4-diphenoxypyrimidine

5-methyl-2,4-diphenoxypyrimidine (PubChem CID 3008442) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 5-methyl-2,4-diphenoxypyrimidine.

Molecular Properties

Compound Name5-methyl-2,4-diphenoxypyrimidine
PubChem CID3008442
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name5-methyl-2,4-diphenoxypyrimidine
SMILESCc1cnc(Oc2ccccc2)nc1Oc1ccccc1
InChIInChI=1S/C17H14N2O2/c1-13-12-18-17(21-15-10-6-3-7-11-15)19-16(13)20-14-8-4-2-5-9-14/h2-12H,1H3
InChIKeyPKUIERHEKOUWQG-UHFFFAOYSA-N
XLogP4.37
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-methyl-2,4-diphenoxypyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,4-diphenoxypyrimidine?
The IUPAC name of 5-methyl-2,4-diphenoxypyrimidine (CID 3008442) is 5-methyl-2,4-diphenoxypyrimidine.
What is the SMILES notation for 5-methyl-2,4-diphenoxypyrimidine?
The canonical SMILES for 5-methyl-2,4-diphenoxypyrimidine is Cc1cnc(Oc2ccccc2)nc1Oc1ccccc1.
What is the InChIKey of 5-methyl-2,4-diphenoxypyrimidine?
The InChIKey is PKUIERHEKOUWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-13-12-18-17(21-15-10-6-3-7-11-15)19-16(13)20-14-8-4-2-5-9-14/h2-12H,1H3.
What are the key properties of 5-methyl-2,4-diphenoxypyrimidine?
5-methyl-2,4-diphenoxypyrimidine has a molecular weight of 278.31 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,4-diphenoxypyrimidine is sourced from PubChem (CID 3008442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).