4-tert-butyl-6-[(3,5-difluorophenyl)methyl]-1,3,5-triazin-2-amine

C14H16F2N4 — CID 63868054

IUPAC4-tert-butyl-6-[(3,5-difluorophenyl)methyl]-1,3,5-triazin-2-amine
SMILESCC(C)(C)c1nc(N)nc(Cc2cc(F)cc(F)c2)n1
InChIInChI=1S/C14H16F2N4/c1-14(2,3)12-18-11(19-13(17)20-12)6-8-4-9(15)7-10(16)5-8/h4-5,7H,6H2,1-3H3,(H2,17,18,19,20)
InChIKeyPZUAHWAEEQDEDF-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.62
Rot. Bonds2

About 4-tert-butyl-6-[(3,5-difluorophenyl)methyl]-1,3,5-triazin-2-amine

4-tert-butyl-6-[(3,5-difluorophenyl)methyl]-1,3,5-triazin-2-amine (PubChem CID 63868054) has the molecular formula C14H16F2N4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-tert-butyl-6-[(3,5-difluorophenyl)methyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-tert-butyl-6-[(3,5-difluorophenyl)methyl]-1,3,5-triazin-2-amine
PubChem CID63868054
Molecular FormulaC14H16F2N4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name4-tert-butyl-6-[(3,5-difluorophenyl)methyl]-1,3,5-triazin-2-amine
SMILESCC(C)(C)c1nc(N)nc(Cc2cc(F)cc(F)c2)n1
InChIInChI=1S/C14H16F2N4/c1-14(2,3)12-18-11(19-13(17)20-12)6-8-4-9(15)7-10(16)5-8/h4-5,7H,6H2,1-3H3,(H2,17,18,19,20)
InChIKeyPZUAHWAEEQDEDF-UHFFFAOYSA-N
XLogP2.62
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-[(3,5-difluorophenyl)methyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-tert-butyl-6-[(3,5-difluorophenyl)methyl]-1,3,5-triazin-2-amine (CID 63868054) is 4-tert-butyl-6-[(3,5-difluorophenyl)methyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-tert-butyl-6-[(3,5-difluorophenyl)methyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-tert-butyl-6-[(3,5-difluorophenyl)methyl]-1,3,5-triazin-2-amine is CC(C)(C)c1nc(N)nc(Cc2cc(F)cc(F)c2)n1.
What is the InChIKey of 4-tert-butyl-6-[(3,5-difluorophenyl)methyl]-1,3,5-triazin-2-amine?
The InChIKey is PZUAHWAEEQDEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4/c1-14(2,3)12-18-11(19-13(17)20-12)6-8-4-9(15)7-10(16)5-8/h4-5,7H,6H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 4-tert-butyl-6-[(3,5-difluorophenyl)methyl]-1,3,5-triazin-2-amine?
4-tert-butyl-6-[(3,5-difluorophenyl)methyl]-1,3,5-triazin-2-amine has a molecular weight of 278.31 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-[(3,5-difluorophenyl)methyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 63868054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).