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

C13H26N6O — CID 106118510

IUPAC3-[[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNc1nc(NC)nc(N(C)C)n1
InChIInChI=1S/C13H26N6O/c1-5-6-10(7-8-20)9-15-12-16-11(14-2)17-13(18-12)19(3)4/h10,20H,5-9H2,1-4H3,(H2,14,15,16,17,18)
InChIKeyAIMKJTFYIHPGIT-UHFFFAOYSA-N
MW282.39 g/mol
LogP1.19
Rot. Bonds9

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

3-[[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]hexan-1-ol (PubChem CID 106118510) has the molecular formula C13H26N6O and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-[[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]hexan-1-ol
PubChem CID106118510
Molecular FormulaC13H26N6O
Molecular Weight282.39 g/mol
Exact Mass282.22
IUPAC Name3-[[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNc1nc(NC)nc(N(C)C)n1
InChIInChI=1S/C13H26N6O/c1-5-6-10(7-8-20)9-15-12-16-11(14-2)17-13(18-12)19(3)4/h10,20H,5-9H2,1-4H3,(H2,14,15,16,17,18)
InChIKeyAIMKJTFYIHPGIT-UHFFFAOYSA-N
XLogP1.19
TPSA86.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-[[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]hexan-1-ol with MolForge

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Related Compounds

3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
CID 80841297
3-[[(5,6-diethyl-1,2,4-triazin-3-yl)amino]methyl]hexan-1-ol
CID 106544559
3-[[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]hexan-1-ol
CID 106118553
3-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]hexan-1-ol
CID 106115742
2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]propan-1-ol
CID 113426550
3-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]hexan-1-ol
CID 104924549
3-[[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]hexan-1-ol
CID 106118514
2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 80765149
2-[[4-(dimethylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 67172901
1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]pentan-2-ol
CID 113496716
3-[[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]hexan-1-ol
CID 114145921
2-N,2-N-dimethyl-4-N-(2-methylpropyl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80770907

Frequently Asked Questions

What is the IUPAC name of 3-[[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]hexan-1-ol?
The IUPAC name of 3-[[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]hexan-1-ol (CID 106118510) is 3-[[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]hexan-1-ol.
What is the SMILES notation for 3-[[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]hexan-1-ol?
The canonical SMILES for 3-[[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]hexan-1-ol is CCCC(CCO)CNc1nc(NC)nc(N(C)C)n1.
What is the InChIKey of 3-[[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]hexan-1-ol?
The InChIKey is AIMKJTFYIHPGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N6O/c1-5-6-10(7-8-20)9-15-12-16-11(14-2)17-13(18-12)19(3)4/h10,20H,5-9H2,1-4H3,(H2,14,15,16,17,18).
What are the key properties of 3-[[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]hexan-1-ol?
3-[[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]hexan-1-ol has a molecular weight of 282.39 g/mol, XLogP of 1.19, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]hexan-1-ol is sourced from PubChem (CID 106118510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).