2-tert-butyl-6-(2,3-difluorophenyl)-5-methylpyrimidin-4-amine

C15H17F2N3 — CID 80977138

IUPAC2-tert-butyl-6-(2,3-difluorophenyl)-5-methylpyrimidin-4-amine
SMILESCc1c(N)nc(C(C)(C)C)nc1-c1cccc(F)c1F
InChIInChI=1S/C15H17F2N3/c1-8-12(9-6-5-7-10(16)11(9)17)19-14(15(2,3)4)20-13(8)18/h5-7H,1-4H3,(H2,18,19,20)
InChIKeyKDSTYAZDABQNLK-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.61
Rot. Bonds1

About 2-tert-butyl-6-(2,3-difluorophenyl)-5-methylpyrimidin-4-amine

2-tert-butyl-6-(2,3-difluorophenyl)-5-methylpyrimidin-4-amine (PubChem CID 80977138) has the molecular formula C15H17F2N3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-tert-butyl-6-(2,3-difluorophenyl)-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-(2,3-difluorophenyl)-5-methylpyrimidin-4-amine
PubChem CID80977138
Molecular FormulaC15H17F2N3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-tert-butyl-6-(2,3-difluorophenyl)-5-methylpyrimidin-4-amine
SMILESCc1c(N)nc(C(C)(C)C)nc1-c1cccc(F)c1F
InChIInChI=1S/C15H17F2N3/c1-8-12(9-6-5-7-10(16)11(9)17)19-14(15(2,3)4)20-13(8)18/h5-7H,1-4H3,(H2,18,19,20)
InChIKeyKDSTYAZDABQNLK-UHFFFAOYSA-N
XLogP3.61
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2,3-difluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80977226
2-tert-butyl-6-(2,6-difluoro-3-methylphenyl)-5-methylpyrimidin-4-amine
CID 82804234
2-tert-butyl-5-methyl-6-phenylpyrimidin-4-amine
CID 80975412
2-tert-butyl-6-(2,5-dimethylphenyl)-5-methylpyrimidin-4-amine
CID 80975360
6-(3-bromo-2-fluorophenyl)-2-tert-butyl-N,5-dimethylpyrimidin-4-amine
CID 106646829
2-tert-butyl-6-(3,4-dimethylphenyl)-5-methylpyrimidin-4-amine
CID 80975520
2-tert-butyl-6-[(2-fluorophenyl)methoxy]-5-methylpyrimidin-4-amine
CID 80989840
2-tert-butyl-6-(3-chloro-5-fluorophenyl)-5-methylpyrimidin-4-amine
CID 115504863
2-tert-butyl-4-N-(2-fluoro-5-methylphenyl)-5-methylpyrimidine-4,6-diamine
CID 80976688
6-(3-bromothiophen-2-yl)-2-tert-butyl-5-methylpyrimidin-4-amine
CID 80977064
2-tert-butyl-4-chloro-6-(3-fluoro-2-methylphenyl)pyrimidine
CID 115502930
6-bromo-2-(2,3-difluorophenyl)-5-methylimidazo[1,2-a]pyridin-3-amine
CID 79048457

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(2,3-difluorophenyl)-5-methylpyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-(2,3-difluorophenyl)-5-methylpyrimidin-4-amine (CID 80977138) is 2-tert-butyl-6-(2,3-difluorophenyl)-5-methylpyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-(2,3-difluorophenyl)-5-methylpyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-(2,3-difluorophenyl)-5-methylpyrimidin-4-amine is Cc1c(N)nc(C(C)(C)C)nc1-c1cccc(F)c1F.
What is the InChIKey of 2-tert-butyl-6-(2,3-difluorophenyl)-5-methylpyrimidin-4-amine?
The InChIKey is KDSTYAZDABQNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3/c1-8-12(9-6-5-7-10(16)11(9)17)19-14(15(2,3)4)20-13(8)18/h5-7H,1-4H3,(H2,18,19,20).
What are the key properties of 2-tert-butyl-6-(2,3-difluorophenyl)-5-methylpyrimidin-4-amine?
2-tert-butyl-6-(2,3-difluorophenyl)-5-methylpyrimidin-4-amine has a molecular weight of 277.32 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(2,3-difluorophenyl)-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80977138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).