4-(3,5-dimethoxyphenyl)-2,6-dimethyl-5-(2,4,6-trifluorophenyl)pyrimidine

C20H17F3N2O2 — CID 167474428

IUPAC4-(3,5-dimethoxyphenyl)-2,6-dimethyl-5-(2,4,6-trifluorophenyl)pyrimidine
SMILESCOc1cc(OC)cc(-c2nc(C)nc(C)c2-c2c(F)cc(F)cc2F)c1
InChIInChI=1S/C20H17F3N2O2/c1-10-18(19-16(22)7-13(21)8-17(19)23)20(25-11(2)24-10)12-5-14(26-3)9-15(6-12)27-4/h5-9H,1-4H3
InChIKeyDWEREXZHZVTMFA-UHFFFAOYSA-N
MW374.36 g/mol
LogP4.86
Rot. Bonds4

About 4-(3,5-dimethoxyphenyl)-2,6-dimethyl-5-(2,4,6-trifluorophenyl)pyrimidine

4-(3,5-dimethoxyphenyl)-2,6-dimethyl-5-(2,4,6-trifluorophenyl)pyrimidine (PubChem CID 167474428) has the molecular formula C20H17F3N2O2 and a molecular weight of 374.36 g/mol. Its IUPAC name is 4-(3,5-dimethoxyphenyl)-2,6-dimethyl-5-(2,4,6-trifluorophenyl)pyrimidine.

Molecular Properties

Compound Name4-(3,5-dimethoxyphenyl)-2,6-dimethyl-5-(2,4,6-trifluorophenyl)pyrimidine
PubChem CID167474428
Molecular FormulaC20H17F3N2O2
Molecular Weight374.36 g/mol
Exact Mass374.12
IUPAC Name4-(3,5-dimethoxyphenyl)-2,6-dimethyl-5-(2,4,6-trifluorophenyl)pyrimidine
SMILESCOc1cc(OC)cc(-c2nc(C)nc(C)c2-c2c(F)cc(F)cc2F)c1
InChIInChI=1S/C20H17F3N2O2/c1-10-18(19-16(22)7-13(21)8-17(19)23)20(25-11(2)24-10)12-5-14(26-3)9-15(6-12)27-4/h5-9H,1-4H3
InChIKeyDWEREXZHZVTMFA-UHFFFAOYSA-N
XLogP4.86
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethoxyphenyl)-2,6-dimethyl-5-(2,4,6-trifluorophenyl)pyrimidine?
The IUPAC name of 4-(3,5-dimethoxyphenyl)-2,6-dimethyl-5-(2,4,6-trifluorophenyl)pyrimidine (CID 167474428) is 4-(3,5-dimethoxyphenyl)-2,6-dimethyl-5-(2,4,6-trifluorophenyl)pyrimidine.
What is the SMILES notation for 4-(3,5-dimethoxyphenyl)-2,6-dimethyl-5-(2,4,6-trifluorophenyl)pyrimidine?
The canonical SMILES for 4-(3,5-dimethoxyphenyl)-2,6-dimethyl-5-(2,4,6-trifluorophenyl)pyrimidine is COc1cc(OC)cc(-c2nc(C)nc(C)c2-c2c(F)cc(F)cc2F)c1.
What is the InChIKey of 4-(3,5-dimethoxyphenyl)-2,6-dimethyl-5-(2,4,6-trifluorophenyl)pyrimidine?
The InChIKey is DWEREXZHZVTMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O2/c1-10-18(19-16(22)7-13(21)8-17(19)23)20(25-11(2)24-10)12-5-14(26-3)9-15(6-12)27-4/h5-9H,1-4H3.
What are the key properties of 4-(3,5-dimethoxyphenyl)-2,6-dimethyl-5-(2,4,6-trifluorophenyl)pyrimidine?
4-(3,5-dimethoxyphenyl)-2,6-dimethyl-5-(2,4,6-trifluorophenyl)pyrimidine has a molecular weight of 374.36 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethoxyphenyl)-2,6-dimethyl-5-(2,4,6-trifluorophenyl)pyrimidine is sourced from PubChem (CID 167474428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).