2-tert-butyl-4-chloro-6-(3-fluoro-2-methylphenyl)pyrimidine

C15H16ClFN2 — CID 115502930

IUPAC2-tert-butyl-4-chloro-6-(3-fluoro-2-methylphenyl)pyrimidine
SMILESCc1c(F)cccc1-c1cc(Cl)nc(C(C)(C)C)n1
InChIInChI=1S/C15H16ClFN2/c1-9-10(6-5-7-11(9)17)12-8-13(16)19-14(18-12)15(2,3)4/h5-8H,1-4H3
InChIKeyIQZQMSXJVGGZCZ-UHFFFAOYSA-N
MW278.76 g/mol
LogP4.54
Rot. Bonds1

About 2-tert-butyl-4-chloro-6-(3-fluoro-2-methylphenyl)pyrimidine

2-tert-butyl-4-chloro-6-(3-fluoro-2-methylphenyl)pyrimidine (PubChem CID 115502930) has the molecular formula C15H16ClFN2 and a molecular weight of 278.76 g/mol. Its IUPAC name is 2-tert-butyl-4-chloro-6-(3-fluoro-2-methylphenyl)pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-4-chloro-6-(3-fluoro-2-methylphenyl)pyrimidine
PubChem CID115502930
Molecular FormulaC15H16ClFN2
Molecular Weight278.76 g/mol
Exact Mass278.10
IUPAC Name2-tert-butyl-4-chloro-6-(3-fluoro-2-methylphenyl)pyrimidine
SMILESCc1c(F)cccc1-c1cc(Cl)nc(C(C)(C)C)n1
InChIInChI=1S/C15H16ClFN2/c1-9-10(6-5-7-11(9)17)12-8-13(16)19-14(18-12)15(2,3)4/h5-8H,1-4H3
InChIKeyIQZQMSXJVGGZCZ-UHFFFAOYSA-N
XLogP4.54
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-4-chloro-6-(2,4,5-trifluorophenyl)pyrimidine
CID 115503244
4-chloro-6-(2,3-dimethylphenyl)-2-(trifluoromethyl)pyrimidine
CID 106768869
4-chloro-6-(3-fluoro-2-methylphenyl)pyrimidine
CID 115502919
2-chloro-4-(3-fluoro-2-methylphenyl)-6-methylpyrimidine
CID 115502925
2-tert-butyl-4-chloro-6-(2,5-dichlorophenyl)pyrimidine
CID 80953036
2-tert-butyl-4-chloro-6-(3,4,5-trifluorophenyl)pyrimidine
CID 80952369
4-chloro-6-(2,3-difluorophenyl)-2-methylpyrimidine
CID 22599696
2-tert-butyl-4-chloro-6-(2-propan-2-yloxyphenyl)pyrimidine
CID 80946930
2-tert-butyl-4-chloro-6-(2-cyclobutylphenyl)pyrimidine
CID 114606804
2-tert-butyl-4-chloro-6-(2,6-dimethoxyphenyl)pyrimidine
CID 116811210
4-(3-fluoro-2-methylphenyl)-6-methyl-1H-pyrimidin-2-one
CID 106520134
2-tert-butyl-4-chloro-6-(4-methoxy-2-methylphenyl)pyrimidine
CID 80952600

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-chloro-6-(3-fluoro-2-methylphenyl)pyrimidine?
The IUPAC name of 2-tert-butyl-4-chloro-6-(3-fluoro-2-methylphenyl)pyrimidine (CID 115502930) is 2-tert-butyl-4-chloro-6-(3-fluoro-2-methylphenyl)pyrimidine.
What is the SMILES notation for 2-tert-butyl-4-chloro-6-(3-fluoro-2-methylphenyl)pyrimidine?
The canonical SMILES for 2-tert-butyl-4-chloro-6-(3-fluoro-2-methylphenyl)pyrimidine is Cc1c(F)cccc1-c1cc(Cl)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-4-chloro-6-(3-fluoro-2-methylphenyl)pyrimidine?
The InChIKey is IQZQMSXJVGGZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2/c1-9-10(6-5-7-11(9)17)12-8-13(16)19-14(18-12)15(2,3)4/h5-8H,1-4H3.
What are the key properties of 2-tert-butyl-4-chloro-6-(3-fluoro-2-methylphenyl)pyrimidine?
2-tert-butyl-4-chloro-6-(3-fluoro-2-methylphenyl)pyrimidine has a molecular weight of 278.76 g/mol, XLogP of 4.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-chloro-6-(3-fluoro-2-methylphenyl)pyrimidine is sourced from PubChem (CID 115502930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).