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

C8H16N6O — CID 597562

IUPAC3-amino-3-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]propan-1-ol
SMILESCN(C)c1nc(N)nc(C(N)CCO)n1
InChIInChI=1S/C8H16N6O/c1-14(2)8-12-6(5(9)3-4-15)11-7(10)13-8/h5,15H,3-4,9H2,1-2H3,(H2,10,11,12,13)
InChIKeyTUXCLSDEKNVELI-UHFFFAOYSA-N
MW212.26 g/mol
LogP-1.10
Rot. Bonds4

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

3-amino-3-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]propan-1-ol (PubChem CID 597562) has the molecular formula C8H16N6O and a molecular weight of 212.26 g/mol. Its IUPAC name is 3-amino-3-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-amino-3-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]propan-1-ol
PubChem CID597562
Molecular FormulaC8H16N6O
Molecular Weight212.26 g/mol
Exact Mass212.14
IUPAC Name3-amino-3-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]propan-1-ol
SMILESCN(C)c1nc(N)nc(C(N)CCO)n1
InChIInChI=1S/C8H16N6O/c1-14(2)8-12-6(5(9)3-4-15)11-7(10)13-8/h5,15H,3-4,9H2,1-2H3,(H2,10,11,12,13)
InChIKeyTUXCLSDEKNVELI-UHFFFAOYSA-N
XLogP-1.10
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 5-1.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]propan-1-ol?
The IUPAC name of 3-amino-3-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]propan-1-ol (CID 597562) is 3-amino-3-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]propan-1-ol.
What is the SMILES notation for 3-amino-3-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]propan-1-ol?
The canonical SMILES for 3-amino-3-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]propan-1-ol is CN(C)c1nc(N)nc(C(N)CCO)n1.
What is the InChIKey of 3-amino-3-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]propan-1-ol?
The InChIKey is TUXCLSDEKNVELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N6O/c1-14(2)8-12-6(5(9)3-4-15)11-7(10)13-8/h5,15H,3-4,9H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 3-amino-3-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]propan-1-ol?
3-amino-3-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]propan-1-ol has a molecular weight of 212.26 g/mol, XLogP of -1.10, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]propan-1-ol is sourced from PubChem (CID 597562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).