6-(2-fluoropropan-2-yl)-2-N-[1-(6-methyl-1-benzofuran-2-yl)ethyl]-1,3,5-triazine-2,4-diamine

C17H20FN5O — CID 15022803

IUPAC6-(2-fluoropropan-2-yl)-2-N-[1-(6-methyl-1-benzofuran-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCc1ccc2cc(C(C)Nc3nc(N)nc(C(C)(C)F)n3)oc2c1
InChIInChI=1S/C17H20FN5O/c1-9-5-6-11-8-12(24-13(11)7-9)10(2)20-16-22-14(17(3,4)18)21-15(19)23-16/h5-8,10H,1-4H3,(H3,19,20,21,22,23)
InChIKeyKPXOQJFXHBORHC-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.89
Rot. Bonds4

About 6-(2-fluoropropan-2-yl)-2-N-[1-(6-methyl-1-benzofuran-2-yl)ethyl]-1,3,5-triazine-2,4-diamine

6-(2-fluoropropan-2-yl)-2-N-[1-(6-methyl-1-benzofuran-2-yl)ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 15022803) has the molecular formula C17H20FN5O and a molecular weight of 329.38 g/mol. Its IUPAC name is 6-(2-fluoropropan-2-yl)-2-N-[1-(6-methyl-1-benzofuran-2-yl)ethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2-fluoropropan-2-yl)-2-N-[1-(6-methyl-1-benzofuran-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
PubChem CID15022803
Molecular FormulaC17H20FN5O
Molecular Weight329.38 g/mol
Exact Mass329.17
IUPAC Name6-(2-fluoropropan-2-yl)-2-N-[1-(6-methyl-1-benzofuran-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCc1ccc2cc(C(C)Nc3nc(N)nc(C(C)(C)F)n3)oc2c1
InChIInChI=1S/C17H20FN5O/c1-9-5-6-11-8-12(24-13(11)7-9)10(2)20-16-22-14(17(3,4)18)21-15(19)23-16/h5-8,10H,1-4H3,(H3,19,20,21,22,23)
InChIKeyKPXOQJFXHBORHC-UHFFFAOYSA-N
XLogP3.89
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoropropan-2-yl)-2-N-[1-(6-methyl-1-benzofuran-2-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(2-fluoropropan-2-yl)-2-N-[1-(6-methyl-1-benzofuran-2-yl)ethyl]-1,3,5-triazine-2,4-diamine (CID 15022803) is 6-(2-fluoropropan-2-yl)-2-N-[1-(6-methyl-1-benzofuran-2-yl)ethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(2-fluoropropan-2-yl)-2-N-[1-(6-methyl-1-benzofuran-2-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(2-fluoropropan-2-yl)-2-N-[1-(6-methyl-1-benzofuran-2-yl)ethyl]-1,3,5-triazine-2,4-diamine is Cc1ccc2cc(C(C)Nc3nc(N)nc(C(C)(C)F)n3)oc2c1.
What is the InChIKey of 6-(2-fluoropropan-2-yl)-2-N-[1-(6-methyl-1-benzofuran-2-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is KPXOQJFXHBORHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O/c1-9-5-6-11-8-12(24-13(11)7-9)10(2)20-16-22-14(17(3,4)18)21-15(19)23-16/h5-8,10H,1-4H3,(H3,19,20,21,22,23).
What are the key properties of 6-(2-fluoropropan-2-yl)-2-N-[1-(6-methyl-1-benzofuran-2-yl)ethyl]-1,3,5-triazine-2,4-diamine?
6-(2-fluoropropan-2-yl)-2-N-[1-(6-methyl-1-benzofuran-2-yl)ethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 329.38 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoropropan-2-yl)-2-N-[1-(6-methyl-1-benzofuran-2-yl)ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 15022803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).