6-(2-fluoropropan-2-yl)-2-N-(4,5,7-trimethyl-1,3-benzoxazol-6-yl)-1,3,5-triazine-2,4-diamine

C16H19FN6O — CID 126609242

IUPAC6-(2-fluoropropan-2-yl)-2-N-(4,5,7-trimethyl-1,3-benzoxazol-6-yl)-1,3,5-triazine-2,4-diamine
SMILESCc1c(Nc2nc(N)nc(C(C)(C)F)n2)c(C)c2ocnc2c1C
InChIInChI=1S/C16H19FN6O/c1-7-8(2)11-12(24-6-19-11)9(3)10(7)20-15-22-13(16(4,5)17)21-14(18)23-15/h6H,1-5H3,(H3,18,20,21,22,23)
InChIKeyLYECAZMPZXUYAS-UHFFFAOYSA-N
MW330.37 g/mol
LogP3.47
Rot. Bonds3

About 6-(2-fluoropropan-2-yl)-2-N-(4,5,7-trimethyl-1,3-benzoxazol-6-yl)-1,3,5-triazine-2,4-diamine

6-(2-fluoropropan-2-yl)-2-N-(4,5,7-trimethyl-1,3-benzoxazol-6-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 126609242) has the molecular formula C16H19FN6O and a molecular weight of 330.37 g/mol. Its IUPAC name is 6-(2-fluoropropan-2-yl)-2-N-(4,5,7-trimethyl-1,3-benzoxazol-6-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2-fluoropropan-2-yl)-2-N-(4,5,7-trimethyl-1,3-benzoxazol-6-yl)-1,3,5-triazine-2,4-diamine
PubChem CID126609242
Molecular FormulaC16H19FN6O
Molecular Weight330.37 g/mol
Exact Mass330.16
IUPAC Name6-(2-fluoropropan-2-yl)-2-N-(4,5,7-trimethyl-1,3-benzoxazol-6-yl)-1,3,5-triazine-2,4-diamine
SMILESCc1c(Nc2nc(N)nc(C(C)(C)F)n2)c(C)c2ocnc2c1C
InChIInChI=1S/C16H19FN6O/c1-7-8(2)11-12(24-6-19-11)9(3)10(7)20-15-22-13(16(4,5)17)21-14(18)23-15/h6H,1-5H3,(H3,18,20,21,22,23)
InChIKeyLYECAZMPZXUYAS-UHFFFAOYSA-N
XLogP3.47
TPSA102.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoropropan-2-yl)-2-N-(4,5,7-trimethyl-1,3-benzoxazol-6-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(2-fluoropropan-2-yl)-2-N-(4,5,7-trimethyl-1,3-benzoxazol-6-yl)-1,3,5-triazine-2,4-diamine (CID 126609242) is 6-(2-fluoropropan-2-yl)-2-N-(4,5,7-trimethyl-1,3-benzoxazol-6-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(2-fluoropropan-2-yl)-2-N-(4,5,7-trimethyl-1,3-benzoxazol-6-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(2-fluoropropan-2-yl)-2-N-(4,5,7-trimethyl-1,3-benzoxazol-6-yl)-1,3,5-triazine-2,4-diamine is Cc1c(Nc2nc(N)nc(C(C)(C)F)n2)c(C)c2ocnc2c1C.
What is the InChIKey of 6-(2-fluoropropan-2-yl)-2-N-(4,5,7-trimethyl-1,3-benzoxazol-6-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is LYECAZMPZXUYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN6O/c1-7-8(2)11-12(24-6-19-11)9(3)10(7)20-15-22-13(16(4,5)17)21-14(18)23-15/h6H,1-5H3,(H3,18,20,21,22,23).
What are the key properties of 6-(2-fluoropropan-2-yl)-2-N-(4,5,7-trimethyl-1,3-benzoxazol-6-yl)-1,3,5-triazine-2,4-diamine?
6-(2-fluoropropan-2-yl)-2-N-(4,5,7-trimethyl-1,3-benzoxazol-6-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 330.37 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoropropan-2-yl)-2-N-(4,5,7-trimethyl-1,3-benzoxazol-6-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 126609242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).