2-tert-butyl-6-(2,3-difluoro-4-methylphenyl)pyrimidin-4-amine

C15H17F2N3 — CID 107514530

IUPAC2-tert-butyl-6-(2,3-difluoro-4-methylphenyl)pyrimidin-4-amine
SMILESCc1ccc(-c2cc(N)nc(C(C)(C)C)n2)c(F)c1F
InChIInChI=1S/C15H17F2N3/c1-8-5-6-9(13(17)12(8)16)10-7-11(18)20-14(19-10)15(2,3)4/h5-7H,1-4H3,(H2,18,19,20)
InChIKeyWWQZOSLTZVWMCI-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.61
Rot. Bonds1

About 2-tert-butyl-6-(2,3-difluoro-4-methylphenyl)pyrimidin-4-amine

2-tert-butyl-6-(2,3-difluoro-4-methylphenyl)pyrimidin-4-amine (PubChem CID 107514530) has the molecular formula C15H17F2N3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-tert-butyl-6-(2,3-difluoro-4-methylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-(2,3-difluoro-4-methylphenyl)pyrimidin-4-amine
PubChem CID107514530
Molecular FormulaC15H17F2N3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-tert-butyl-6-(2,3-difluoro-4-methylphenyl)pyrimidin-4-amine
SMILESCc1ccc(-c2cc(N)nc(C(C)(C)C)n2)c(F)c1F
InChIInChI=1S/C15H17F2N3/c1-8-5-6-9(13(17)12(8)16)10-7-11(18)20-14(19-10)15(2,3)4/h5-7H,1-4H3,(H2,18,19,20)
InChIKeyWWQZOSLTZVWMCI-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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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(2,3-difluoro-4-methylphenyl)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-(2,3-difluoro-4-methylphenyl)pyrimidin-4-amine (CID 107514530) is 2-tert-butyl-6-(2,3-difluoro-4-methylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-(2,3-difluoro-4-methylphenyl)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-(2,3-difluoro-4-methylphenyl)pyrimidin-4-amine is Cc1ccc(-c2cc(N)nc(C(C)(C)C)n2)c(F)c1F.
What is the InChIKey of 2-tert-butyl-6-(2,3-difluoro-4-methylphenyl)pyrimidin-4-amine?
The InChIKey is WWQZOSLTZVWMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3/c1-8-5-6-9(13(17)12(8)16)10-7-11(18)20-14(19-10)15(2,3)4/h5-7H,1-4H3,(H2,18,19,20).
What are the key properties of 2-tert-butyl-6-(2,3-difluoro-4-methylphenyl)pyrimidin-4-amine?
2-tert-butyl-6-(2,3-difluoro-4-methylphenyl)pyrimidin-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-difluoro-4-methylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 107514530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).