5-(2,6-difluorophenyl)-4-(3,5-dimethoxyphenyl)-6-ethyl-2-methylpyrimidine

C21H20F2N2O2 — CID 167474417

IUPAC5-(2,6-difluorophenyl)-4-(3,5-dimethoxyphenyl)-6-ethyl-2-methylpyrimidine
SMILESCCc1nc(C)nc(-c2cc(OC)cc(OC)c2)c1-c1c(F)cccc1F
InChIInChI=1S/C21H20F2N2O2/c1-5-18-20(19-16(22)7-6-8-17(19)23)21(25-12(2)24-18)13-9-14(26-3)11-15(10-13)27-4/h6-11H,5H2,1-4H3
InChIKeyBHIOUTIIRSJKGF-UHFFFAOYSA-N
MW370.40 g/mol
LogP4.98
Rot. Bonds5

About 5-(2,6-difluorophenyl)-4-(3,5-dimethoxyphenyl)-6-ethyl-2-methylpyrimidine

5-(2,6-difluorophenyl)-4-(3,5-dimethoxyphenyl)-6-ethyl-2-methylpyrimidine (PubChem CID 167474417) has the molecular formula C21H20F2N2O2 and a molecular weight of 370.40 g/mol. Its IUPAC name is 5-(2,6-difluorophenyl)-4-(3,5-dimethoxyphenyl)-6-ethyl-2-methylpyrimidine.

Molecular Properties

Compound Name5-(2,6-difluorophenyl)-4-(3,5-dimethoxyphenyl)-6-ethyl-2-methylpyrimidine
PubChem CID167474417
Molecular FormulaC21H20F2N2O2
Molecular Weight370.40 g/mol
Exact Mass370.15
IUPAC Name5-(2,6-difluorophenyl)-4-(3,5-dimethoxyphenyl)-6-ethyl-2-methylpyrimidine
SMILESCCc1nc(C)nc(-c2cc(OC)cc(OC)c2)c1-c1c(F)cccc1F
InChIInChI=1S/C21H20F2N2O2/c1-5-18-20(19-16(22)7-6-8-17(19)23)21(25-12(2)24-18)13-9-14(26-3)11-15(10-13)27-4/h6-11H,5H2,1-4H3
InChIKeyBHIOUTIIRSJKGF-UHFFFAOYSA-N
XLogP4.98
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(2,6-difluorophenyl)-4-(3,5-dimethoxyphenyl)-6-ethyl-2-methylpyrimidine 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-(2,6-difluorophenyl)-4-(3,5-dimethoxyphenyl)-6-ethyl-2-methylpyrimidine?
The IUPAC name of 5-(2,6-difluorophenyl)-4-(3,5-dimethoxyphenyl)-6-ethyl-2-methylpyrimidine (CID 167474417) is 5-(2,6-difluorophenyl)-4-(3,5-dimethoxyphenyl)-6-ethyl-2-methylpyrimidine.
What is the SMILES notation for 5-(2,6-difluorophenyl)-4-(3,5-dimethoxyphenyl)-6-ethyl-2-methylpyrimidine?
The canonical SMILES for 5-(2,6-difluorophenyl)-4-(3,5-dimethoxyphenyl)-6-ethyl-2-methylpyrimidine is CCc1nc(C)nc(-c2cc(OC)cc(OC)c2)c1-c1c(F)cccc1F.
What is the InChIKey of 5-(2,6-difluorophenyl)-4-(3,5-dimethoxyphenyl)-6-ethyl-2-methylpyrimidine?
The InChIKey is BHIOUTIIRSJKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N2O2/c1-5-18-20(19-16(22)7-6-8-17(19)23)21(25-12(2)24-18)13-9-14(26-3)11-15(10-13)27-4/h6-11H,5H2,1-4H3.
What are the key properties of 5-(2,6-difluorophenyl)-4-(3,5-dimethoxyphenyl)-6-ethyl-2-methylpyrimidine?
5-(2,6-difluorophenyl)-4-(3,5-dimethoxyphenyl)-6-ethyl-2-methylpyrimidine has a molecular weight of 370.40 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluorophenyl)-4-(3,5-dimethoxyphenyl)-6-ethyl-2-methylpyrimidine is sourced from PubChem (CID 167474417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).