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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Related Compounds

2-[5-methyl-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]quinazoline
CID 67688678
2-[2-(trifluoromethyl)phenyl]quinazoline
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3-methyl-2-[2-(trifluoromethyl)phenyl]quinoline
CID 132515262
2,4-bis[2-(trifluoromethyl)phenyl]pyrimidine
CID 174722117
2,3-dimethyl-5-[2-(trifluoromethyl)phenyl]pyridine
CID 145031967
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
5-methylsulfonyl-4-[2-(trifluoromethyl)phenyl]-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine
CID 3314010
2,3,5-trifluoro-6-[2-(trifluoromethyl)phenyl]pyridine
CID 118848870
6-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
CID 23311136
5,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 62202485
[2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]methanamine
CID 46785114
4-N,6-dimethyl-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine
CID 15983474

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).