1-[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-4-methylazepan-4-ol

C13H24N6O — CID 107409153

IUPAC1-[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-4-methylazepan-4-ol
SMILESCNc1nc(N(C)C)nc(N2CCCC(C)(O)CC2)n1
InChIInChI=1S/C13H24N6O/c1-13(20)6-5-8-19(9-7-13)12-16-10(14-2)15-11(17-12)18(3)4/h20H,5-9H2,1-4H3,(H,14,15,16,17)
InChIKeyRKGJCWWYOIBMPY-UHFFFAOYSA-N
MW280.38 g/mol
LogP0.72
Rot. Bonds3

About 1-[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-4-methylazepan-4-ol

1-[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-4-methylazepan-4-ol (PubChem CID 107409153) has the molecular formula C13H24N6O and a molecular weight of 280.38 g/mol. Its IUPAC name is 1-[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-4-methylazepan-4-ol.

Molecular Properties

Compound Name1-[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-4-methylazepan-4-ol
PubChem CID107409153
Molecular FormulaC13H24N6O
Molecular Weight280.38 g/mol
Exact Mass280.20
IUPAC Name1-[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-4-methylazepan-4-ol
SMILESCNc1nc(N(C)C)nc(N2CCCC(C)(O)CC2)n1
InChIInChI=1S/C13H24N6O/c1-13(20)6-5-8-19(9-7-13)12-16-10(14-2)15-11(17-12)18(3)4/h20H,5-9H2,1-4H3,(H,14,15,16,17)
InChIKeyRKGJCWWYOIBMPY-UHFFFAOYSA-N
XLogP0.72
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-4-methylazepan-4-ol?
The IUPAC name of 1-[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-4-methylazepan-4-ol (CID 107409153) is 1-[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-4-methylazepan-4-ol.
What is the SMILES notation for 1-[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-4-methylazepan-4-ol?
The canonical SMILES for 1-[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-4-methylazepan-4-ol is CNc1nc(N(C)C)nc(N2CCCC(C)(O)CC2)n1.
What is the InChIKey of 1-[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-4-methylazepan-4-ol?
The InChIKey is RKGJCWWYOIBMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O/c1-13(20)6-5-8-19(9-7-13)12-16-10(14-2)15-11(17-12)18(3)4/h20H,5-9H2,1-4H3,(H,14,15,16,17).
What are the key properties of 1-[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-4-methylazepan-4-ol?
1-[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-4-methylazepan-4-ol has a molecular weight of 280.38 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-4-methylazepan-4-ol is sourced from PubChem (CID 107409153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).