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

C12H24N6O3 — CID 68938395

IUPAC2-[[4,6-bis(1-hydroxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
SMILESCC(CO)Nc1nc(NC(C)CO)nc(NC(C)CO)n1
InChIInChI=1S/C12H24N6O3/c1-7(4-19)13-10-16-11(14-8(2)5-20)18-12(17-10)15-9(3)6-21/h7-9,19-21H,4-6H2,1-3H3,(H3,13,14,15,16,17,18)
InChIKeyMBWHJPLBDYVPRJ-UHFFFAOYSA-N
MW300.36 g/mol
LogP-0.75
Rot. Bonds9

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

2-[[4,6-bis(1-hydroxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol (PubChem CID 68938395) has the molecular formula C12H24N6O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[[4,6-bis(1-hydroxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol.

Molecular Properties

Compound Name2-[[4,6-bis(1-hydroxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
PubChem CID68938395
Molecular FormulaC12H24N6O3
Molecular Weight300.36 g/mol
Exact Mass300.19
IUPAC Name2-[[4,6-bis(1-hydroxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
SMILESCC(CO)Nc1nc(NC(C)CO)nc(NC(C)CO)n1
InChIInChI=1S/C12H24N6O3/c1-7(4-19)13-10-16-11(14-8(2)5-20)18-12(17-10)15-9(3)6-21/h7-9,19-21H,4-6H2,1-3H3,(H3,13,14,15,16,17,18)
InChIKeyMBWHJPLBDYVPRJ-UHFFFAOYSA-N
XLogP-0.75
TPSA135.45 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.36
LogP ≤ 5-0.75
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Analyze 2-[[4,6-bis(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-[[4,6-bis(1-hydroxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol?
The IUPAC name of 2-[[4,6-bis(1-hydroxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol (CID 68938395) is 2-[[4,6-bis(1-hydroxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol.
What is the SMILES notation for 2-[[4,6-bis(1-hydroxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol?
The canonical SMILES for 2-[[4,6-bis(1-hydroxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol is CC(CO)Nc1nc(NC(C)CO)nc(NC(C)CO)n1.
What is the InChIKey of 2-[[4,6-bis(1-hydroxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol?
The InChIKey is MBWHJPLBDYVPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N6O3/c1-7(4-19)13-10-16-11(14-8(2)5-20)18-12(17-10)15-9(3)6-21/h7-9,19-21H,4-6H2,1-3H3,(H3,13,14,15,16,17,18).
What are the key properties of 2-[[4,6-bis(1-hydroxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol?
2-[[4,6-bis(1-hydroxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol has a molecular weight of 300.36 g/mol, XLogP of -0.75, 9 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4,6-bis(1-hydroxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol is sourced from PubChem (CID 68938395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).