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

C14H18FN5O — CID 139904923

IUPAC6-(2-fluoropropan-2-yl)-2-N-(4,5,6,7-tetrahydro-1-benzofuran-7-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)(F)c1nc(N)nc(NC2CCCc3ccoc32)n1
InChIInChI=1S/C14H18FN5O/c1-14(2,15)11-18-12(16)20-13(19-11)17-9-5-3-4-8-6-7-21-10(8)9/h6-7,9H,3-5H2,1-2H3,(H3,16,17,18,19,20)
InChIKeyWLYYRMRWYIXJKR-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.74
Rot. Bonds3

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

6-(2-fluoropropan-2-yl)-2-N-(4,5,6,7-tetrahydro-1-benzofuran-7-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 139904923) has the molecular formula C14H18FN5O and a molecular weight of 291.33 g/mol. Its IUPAC name is 6-(2-fluoropropan-2-yl)-2-N-(4,5,6,7-tetrahydro-1-benzofuran-7-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2-fluoropropan-2-yl)-2-N-(4,5,6,7-tetrahydro-1-benzofuran-7-yl)-1,3,5-triazine-2,4-diamine
PubChem CID139904923
Molecular FormulaC14H18FN5O
Molecular Weight291.33 g/mol
Exact Mass291.15
IUPAC Name6-(2-fluoropropan-2-yl)-2-N-(4,5,6,7-tetrahydro-1-benzofuran-7-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)(F)c1nc(N)nc(NC2CCCc3ccoc32)n1
InChIInChI=1S/C14H18FN5O/c1-14(2,15)11-18-12(16)20-13(19-11)17-9-5-3-4-8-6-7-21-10(8)9/h6-7,9H,3-5H2,1-2H3,(H3,16,17,18,19,20)
InChIKeyWLYYRMRWYIXJKR-UHFFFAOYSA-N
XLogP2.74
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.74
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-(4,5,6,7-tetrahydro-1-benzofuran-7-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(2-fluoropropan-2-yl)-2-N-(4,5,6,7-tetrahydro-1-benzofuran-7-yl)-1,3,5-triazine-2,4-diamine (CID 139904923) is 6-(2-fluoropropan-2-yl)-2-N-(4,5,6,7-tetrahydro-1-benzofuran-7-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(2-fluoropropan-2-yl)-2-N-(4,5,6,7-tetrahydro-1-benzofuran-7-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(2-fluoropropan-2-yl)-2-N-(4,5,6,7-tetrahydro-1-benzofuran-7-yl)-1,3,5-triazine-2,4-diamine is CC(C)(F)c1nc(N)nc(NC2CCCc3ccoc32)n1.
What is the InChIKey of 6-(2-fluoropropan-2-yl)-2-N-(4,5,6,7-tetrahydro-1-benzofuran-7-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is WLYYRMRWYIXJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN5O/c1-14(2,15)11-18-12(16)20-13(19-11)17-9-5-3-4-8-6-7-21-10(8)9/h6-7,9H,3-5H2,1-2H3,(H3,16,17,18,19,20).
What are the key properties of 6-(2-fluoropropan-2-yl)-2-N-(4,5,6,7-tetrahydro-1-benzofuran-7-yl)-1,3,5-triazine-2,4-diamine?
6-(2-fluoropropan-2-yl)-2-N-(4,5,6,7-tetrahydro-1-benzofuran-7-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 291.33 g/mol, XLogP of 2.74, 3 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-(4,5,6,7-tetrahydro-1-benzofuran-7-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 139904923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).