2-(3,5-dimethylphenyl)-4-fluoropyrimidine

C12H11FN2 — CID 164652234

IUPAC2-(3,5-dimethylphenyl)-4-fluoropyrimidine
SMILESCc1cc(C)cc(-c2nccc(F)n2)c1
InChIInChI=1S/C12H11FN2/c1-8-5-9(2)7-10(6-8)12-14-4-3-11(13)15-12/h3-7H,1-2H3
InChIKeyZQEFAPWNLSZMHN-UHFFFAOYSA-N
MW202.23 g/mol
LogP2.90
Rot. Bonds1

About 2-(3,5-dimethylphenyl)-4-fluoropyrimidine

2-(3,5-dimethylphenyl)-4-fluoropyrimidine (PubChem CID 164652234) has the molecular formula C12H11FN2 and a molecular weight of 202.23 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-4-fluoropyrimidine.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-4-fluoropyrimidine
PubChem CID164652234
Molecular FormulaC12H11FN2
Molecular Weight202.23 g/mol
Exact Mass202.09
IUPAC Name2-(3,5-dimethylphenyl)-4-fluoropyrimidine
SMILESCc1cc(C)cc(-c2nccc(F)n2)c1
InChIInChI=1S/C12H11FN2/c1-8-5-9(2)7-10(6-8)12-14-4-3-11(13)15-12/h3-7H,1-2H3
InChIKeyZQEFAPWNLSZMHN-UHFFFAOYSA-N
XLogP2.90
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-2-pyrimidin-2-ylpyrimidine
CID 175085589
2-(3,4-dimethylphenyl)-4,6-bis(3,5-dimethylphenyl)-1,3,5-triazine
CID 118404990
2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methylpyrimidine
CID 21025867
1-(3,5-dimethylphenyl)-6-fluoro-8,9-dimethylbenzo[h]isoquinoline
CID 171576459
5-bromo-4-chloro-2-(3,5-dimethylphenyl)pyrimidine
CID 66312284
4-(3,5-dimethylphenyl)-8,9-dimethylbenzo[f]isoquinoline
CID 159366512
3-[4-(4-methylphenyl)pyrimidin-2-yl]aniline
CID 116898999
2,4-dichloro-6-(3-fluoro-5-methylphenyl)-1,3,5-triazine
CID 79690163
2-[[4,6-bis(3,5-dimethylphenyl)-1,3,5-triazin-2-yl]methyl]-4,6-bis(3,5-dimethylphenyl)-1,3,5-triazine
CID 58299191
2-(4-bromo-3,5-dimethylphenyl)-4-chloropyrimidine
CID 114329490
4-methyl-2-[3-(4-methylphenyl)phenyl]pyrimidine
CID 118345332
[2-(3,5-difluorophenyl)pyrimidin-4-yl]methanol
CID 62749028

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-4-fluoropyrimidine?
The IUPAC name of 2-(3,5-dimethylphenyl)-4-fluoropyrimidine (CID 164652234) is 2-(3,5-dimethylphenyl)-4-fluoropyrimidine.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-4-fluoropyrimidine?
The canonical SMILES for 2-(3,5-dimethylphenyl)-4-fluoropyrimidine is Cc1cc(C)cc(-c2nccc(F)n2)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-4-fluoropyrimidine?
The InChIKey is ZQEFAPWNLSZMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2/c1-8-5-9(2)7-10(6-8)12-14-4-3-11(13)15-12/h3-7H,1-2H3.
What are the key properties of 2-(3,5-dimethylphenyl)-4-fluoropyrimidine?
2-(3,5-dimethylphenyl)-4-fluoropyrimidine has a molecular weight of 202.23 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-4-fluoropyrimidine is sourced from PubChem (CID 164652234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).