5-methyl-2,4-bis[2-(trifluoromethyl)phenyl]pyrimidine

C19H12F6N2 — CID 174722143

IUPAC5-methyl-2,4-bis[2-(trifluoromethyl)phenyl]pyrimidine
SMILESCc1cnc(-c2ccccc2C(F)(F)F)nc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C19H12F6N2/c1-11-10-26-17(13-7-3-5-9-15(13)19(23,24)25)27-16(11)12-6-2-4-8-14(12)18(20,21)22/h2-10H,1H3
InChIKeyWQWSXKHNZLPSTE-UHFFFAOYSA-N
MW382.31 g/mol
LogP6.16
Rot. Bonds2

About 5-methyl-2,4-bis[2-(trifluoromethyl)phenyl]pyrimidine

5-methyl-2,4-bis[2-(trifluoromethyl)phenyl]pyrimidine (PubChem CID 174722143) has the molecular formula C19H12F6N2 and a molecular weight of 382.31 g/mol. Its IUPAC name is 5-methyl-2,4-bis[2-(trifluoromethyl)phenyl]pyrimidine.

Molecular Properties

Compound Name5-methyl-2,4-bis[2-(trifluoromethyl)phenyl]pyrimidine
PubChem CID174722143
Molecular FormulaC19H12F6N2
Molecular Weight382.31 g/mol
Exact Mass382.09
IUPAC Name5-methyl-2,4-bis[2-(trifluoromethyl)phenyl]pyrimidine
SMILESCc1cnc(-c2ccccc2C(F)(F)F)nc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C19H12F6N2/c1-11-10-26-17(13-7-3-5-9-15(13)19(23,24)25)27-16(11)12-6-2-4-8-14(12)18(20,21)22/h2-10H,1H3
InChIKeyWQWSXKHNZLPSTE-UHFFFAOYSA-N
XLogP6.16
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.31
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,4-bis[2-(trifluoromethyl)phenyl]pyrimidine?
The IUPAC name of 5-methyl-2,4-bis[2-(trifluoromethyl)phenyl]pyrimidine (CID 174722143) is 5-methyl-2,4-bis[2-(trifluoromethyl)phenyl]pyrimidine.
What is the SMILES notation for 5-methyl-2,4-bis[2-(trifluoromethyl)phenyl]pyrimidine?
The canonical SMILES for 5-methyl-2,4-bis[2-(trifluoromethyl)phenyl]pyrimidine is Cc1cnc(-c2ccccc2C(F)(F)F)nc1-c1ccccc1C(F)(F)F.
What is the InChIKey of 5-methyl-2,4-bis[2-(trifluoromethyl)phenyl]pyrimidine?
The InChIKey is WQWSXKHNZLPSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F6N2/c1-11-10-26-17(13-7-3-5-9-15(13)19(23,24)25)27-16(11)12-6-2-4-8-14(12)18(20,21)22/h2-10H,1H3.
What are the key properties of 5-methyl-2,4-bis[2-(trifluoromethyl)phenyl]pyrimidine?
5-methyl-2,4-bis[2-(trifluoromethyl)phenyl]pyrimidine has a molecular weight of 382.31 g/mol, XLogP of 6.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,4-bis[2-(trifluoromethyl)phenyl]pyrimidine is sourced from PubChem (CID 174722143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).