[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]azepan-2-yl]methanol

C12H22N6O — CID 116640714

IUPAC[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]azepan-2-yl]methanol
SMILESCN(C)c1nc(N)nc(N2CCCCCC2CO)n1
InChIInChI=1S/C12H22N6O/c1-17(2)11-14-10(13)15-12(16-11)18-7-5-3-4-6-9(18)8-19/h9,19H,3-8H2,1-2H3,(H2,13,14,15,16)
InChIKeyKDYXZRGUXLJBEN-UHFFFAOYSA-N
MW266.35 g/mol
LogP0.26
Rot. Bonds3

About [1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]azepan-2-yl]methanol

[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]azepan-2-yl]methanol (PubChem CID 116640714) has the molecular formula C12H22N6O and a molecular weight of 266.35 g/mol. Its IUPAC name is [1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]azepan-2-yl]methanol.

Molecular Properties

Compound Name[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]azepan-2-yl]methanol
PubChem CID116640714
Molecular FormulaC12H22N6O
Molecular Weight266.35 g/mol
Exact Mass266.19
IUPAC Name[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]azepan-2-yl]methanol
SMILESCN(C)c1nc(N)nc(N2CCCCCC2CO)n1
InChIInChI=1S/C12H22N6O/c1-17(2)11-14-10(13)15-12(16-11)18-7-5-3-4-6-9(18)8-19/h9,19H,3-8H2,1-2H3,(H2,13,14,15,16)
InChIKeyKDYXZRGUXLJBEN-UHFFFAOYSA-N
XLogP0.26
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[1-[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol
CID 80794784
4-N,4-N-diethyl-6-(2-ethylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine
CID 80776049
[1-(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperidin-2-yl]methanol
CID 80794266
[1-(4-aminopyrimidin-2-yl)azepan-2-yl]methanol
CID 116797534
4-(2-ethylazepan-1-yl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
CID 104693151
[1-[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]piperidin-2-yl]methanol
CID 62865295
[1-(2-amino-6-methylpyrimidin-4-yl)piperidin-2-yl]methanol
CID 112726024
4-(2-ethylpyrrolidin-1-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80798778
[1-[4-(dimethylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol
CID 155975322
[1-[2-amino-6-(ethylamino)pyrimidin-4-yl]azepan-2-yl]methanol
CID 116640645
[1-(5-amino-6-methoxy-2-pyridinyl)azepan-2-yl]methanol
CID 116633953
[1-(6-amino-2-cyclopropylpyrimidin-4-yl)azepan-2-yl]methanol
CID 116640662

Frequently Asked Questions

What is the IUPAC name of [1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]azepan-2-yl]methanol?
The IUPAC name of [1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]azepan-2-yl]methanol (CID 116640714) is [1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]azepan-2-yl]methanol.
What is the SMILES notation for [1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]azepan-2-yl]methanol?
The canonical SMILES for [1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]azepan-2-yl]methanol is CN(C)c1nc(N)nc(N2CCCCCC2CO)n1.
What is the InChIKey of [1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]azepan-2-yl]methanol?
The InChIKey is KDYXZRGUXLJBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O/c1-17(2)11-14-10(13)15-12(16-11)18-7-5-3-4-6-9(18)8-19/h9,19H,3-8H2,1-2H3,(H2,13,14,15,16).
What are the key properties of [1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]azepan-2-yl]methanol?
[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]azepan-2-yl]methanol has a molecular weight of 266.35 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]azepan-2-yl]methanol is sourced from PubChem (CID 116640714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).