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

C9H18N6O2 — CID 68938423

IUPAC2-[[4-amino-6-(1-hydroxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
SMILESCC(CO)Nc1nc(N)nc(NC(C)CO)n1
InChIInChI=1S/C9H18N6O2/c1-5(3-16)11-8-13-7(10)14-9(15-8)12-6(2)4-17/h5-6,16-17H,3-4H2,1-2H3,(H4,10,11,12,13,14,15)
InChIKeyDKXXVUCDKXOYBJ-UHFFFAOYSA-N
MW242.28 g/mol
LogP-0.96
Rot. Bonds6

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

2-[[4-amino-6-(1-hydroxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol (PubChem CID 68938423) has the molecular formula C9H18N6O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-[[4-amino-6-(1-hydroxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol.

Molecular Properties

Compound Name2-[[4-amino-6-(1-hydroxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
PubChem CID68938423
Molecular FormulaC9H18N6O2
Molecular Weight242.28 g/mol
Exact Mass242.15
IUPAC Name2-[[4-amino-6-(1-hydroxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
SMILESCC(CO)Nc1nc(N)nc(NC(C)CO)n1
InChIInChI=1S/C9H18N6O2/c1-5(3-16)11-8-13-7(10)14-9(15-8)12-6(2)4-17/h5-6,16-17H,3-4H2,1-2H3,(H4,10,11,12,13,14,15)
InChIKeyDKXXVUCDKXOYBJ-UHFFFAOYSA-N
XLogP-0.96
TPSA129.21 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 5-0.96
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze 2-[[4-amino-6-(1-hydroxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-amino-6-(1-hydroxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol?
The IUPAC name of 2-[[4-amino-6-(1-hydroxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol (CID 68938423) is 2-[[4-amino-6-(1-hydroxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol.
What is the SMILES notation for 2-[[4-amino-6-(1-hydroxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol?
The canonical SMILES for 2-[[4-amino-6-(1-hydroxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol is CC(CO)Nc1nc(N)nc(NC(C)CO)n1.
What is the InChIKey of 2-[[4-amino-6-(1-hydroxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol?
The InChIKey is DKXXVUCDKXOYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N6O2/c1-5(3-16)11-8-13-7(10)14-9(15-8)12-6(2)4-17/h5-6,16-17H,3-4H2,1-2H3,(H4,10,11,12,13,14,15).
What are the key properties of 2-[[4-amino-6-(1-hydroxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol?
2-[[4-amino-6-(1-hydroxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol has a molecular weight of 242.28 g/mol, XLogP of -0.96, 6 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-amino-6-(1-hydroxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol is sourced from PubChem (CID 68938423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).