4-methyl-2-[4-(trifluoromethoxy)phenyl]pyrimidine

C12H9F3N2O — CID 21025907

IUPAC4-methyl-2-[4-(trifluoromethoxy)phenyl]pyrimidine
SMILESCc1ccnc(-c2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C12H9F3N2O/c1-8-6-7-16-11(17-8)9-2-4-10(5-3-9)18-12(13,14)15/h2-7H,1H3
InChIKeyPAVQQAZDUMCIJB-UHFFFAOYSA-N
MW254.21 g/mol
LogP3.35
Rot. Bonds2

About 4-methyl-2-[4-(trifluoromethoxy)phenyl]pyrimidine

4-methyl-2-[4-(trifluoromethoxy)phenyl]pyrimidine (PubChem CID 21025907) has the molecular formula C12H9F3N2O and a molecular weight of 254.21 g/mol. Its IUPAC name is 4-methyl-2-[4-(trifluoromethoxy)phenyl]pyrimidine.

Molecular Properties

Compound Name4-methyl-2-[4-(trifluoromethoxy)phenyl]pyrimidine
PubChem CID21025907
Molecular FormulaC12H9F3N2O
Molecular Weight254.21 g/mol
Exact Mass254.07
IUPAC Name4-methyl-2-[4-(trifluoromethoxy)phenyl]pyrimidine
SMILESCc1ccnc(-c2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C12H9F3N2O/c1-8-6-7-16-11(17-8)9-2-4-10(5-3-9)18-12(13,14)15/h2-7H,1H3
InChIKeyPAVQQAZDUMCIJB-UHFFFAOYSA-N
XLogP3.35
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 62202664
4-chloro-6-methyl-2-[4-(trifluoromethoxy)phenyl]pyrimidine
CID 43557805
4-methyl-2-[6-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-pyridinyl]pyrimidine
CID 139724258
4-(4-methylpyrimidin-2-yl)benzoic acid
CID 105467466
methane;1-methyl-4-(trifluoromethoxy)benzene
CID 160675977
1-[4-(4-methylpyrimidin-2-yl)phenyl]ethanone
CID 21025827
5-iodo-2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 66297036
2-[4-(trifluoromethoxy)phenyl]pyrazine
CID 91219772
2-methyl-5-phenylpyridine;2-methyl-5-[4-(trifluoromethoxy)phenyl]pyridine
CID 158386173
methanamine;1-methyl-4-(trifluoromethoxy)benzene
CID 142968815
1-iodo-2-[4-(trifluoromethoxy)phenyl]imidazole
CID 174608293
1-methoxy-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]benzene
CID 59726185

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[4-(trifluoromethoxy)phenyl]pyrimidine?
The IUPAC name of 4-methyl-2-[4-(trifluoromethoxy)phenyl]pyrimidine (CID 21025907) is 4-methyl-2-[4-(trifluoromethoxy)phenyl]pyrimidine.
What is the SMILES notation for 4-methyl-2-[4-(trifluoromethoxy)phenyl]pyrimidine?
The canonical SMILES for 4-methyl-2-[4-(trifluoromethoxy)phenyl]pyrimidine is Cc1ccnc(-c2ccc(OC(F)(F)F)cc2)n1.
What is the InChIKey of 4-methyl-2-[4-(trifluoromethoxy)phenyl]pyrimidine?
The InChIKey is PAVQQAZDUMCIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O/c1-8-6-7-16-11(17-8)9-2-4-10(5-3-9)18-12(13,14)15/h2-7H,1H3.
What are the key properties of 4-methyl-2-[4-(trifluoromethoxy)phenyl]pyrimidine?
4-methyl-2-[4-(trifluoromethoxy)phenyl]pyrimidine has a molecular weight of 254.21 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[4-(trifluoromethoxy)phenyl]pyrimidine is sourced from PubChem (CID 21025907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).