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

C12H24N6O3 — CID 19611877

IUPAC1-[[4-amino-6-[bis(2-hydroxypropyl)amino]-1,3,5-triazin-2-yl]amino]propan-2-ol
SMILESCC(O)CNc1nc(N)nc(N(CC(C)O)CC(C)O)n1
InChIInChI=1S/C12H24N6O3/c1-7(19)4-14-11-15-10(13)16-12(17-11)18(5-8(2)20)6-9(3)21/h7-9,19-21H,4-6H2,1-3H3,(H3,13,14,15,16,17)
InChIKeyGYUFGEIJYFLBPU-UHFFFAOYSA-N
MW300.36 g/mol
LogP-1.19
Rot. Bonds8

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

1-[[4-amino-6-[bis(2-hydroxypropyl)amino]-1,3,5-triazin-2-yl]amino]propan-2-ol (PubChem CID 19611877) has the molecular formula C12H24N6O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-[[4-amino-6-[bis(2-hydroxypropyl)amino]-1,3,5-triazin-2-yl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[[4-amino-6-[bis(2-hydroxypropyl)amino]-1,3,5-triazin-2-yl]amino]propan-2-ol
PubChem CID19611877
Molecular FormulaC12H24N6O3
Molecular Weight300.36 g/mol
Exact Mass300.19
IUPAC Name1-[[4-amino-6-[bis(2-hydroxypropyl)amino]-1,3,5-triazin-2-yl]amino]propan-2-ol
SMILESCC(O)CNc1nc(N)nc(N(CC(C)O)CC(C)O)n1
InChIInChI=1S/C12H24N6O3/c1-7(19)4-14-11-15-10(13)16-12(17-11)18(5-8(2)20)6-9(3)21/h7-9,19-21H,4-6H2,1-3H3,(H3,13,14,15,16,17)
InChIKeyGYUFGEIJYFLBPU-UHFFFAOYSA-N
XLogP-1.19
TPSA140.65 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 5-1.19
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[4-amino-6-[bis(2-hydroxypropyl)amino]-1,3,5-triazin-2-yl]amino]propan-2-ol?
The IUPAC name of 1-[[4-amino-6-[bis(2-hydroxypropyl)amino]-1,3,5-triazin-2-yl]amino]propan-2-ol (CID 19611877) is 1-[[4-amino-6-[bis(2-hydroxypropyl)amino]-1,3,5-triazin-2-yl]amino]propan-2-ol.
What is the SMILES notation for 1-[[4-amino-6-[bis(2-hydroxypropyl)amino]-1,3,5-triazin-2-yl]amino]propan-2-ol?
The canonical SMILES for 1-[[4-amino-6-[bis(2-hydroxypropyl)amino]-1,3,5-triazin-2-yl]amino]propan-2-ol is CC(O)CNc1nc(N)nc(N(CC(C)O)CC(C)O)n1.
What is the InChIKey of 1-[[4-amino-6-[bis(2-hydroxypropyl)amino]-1,3,5-triazin-2-yl]amino]propan-2-ol?
The InChIKey is GYUFGEIJYFLBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N6O3/c1-7(19)4-14-11-15-10(13)16-12(17-11)18(5-8(2)20)6-9(3)21/h7-9,19-21H,4-6H2,1-3H3,(H3,13,14,15,16,17).
What are the key properties of 1-[[4-amino-6-[bis(2-hydroxypropyl)amino]-1,3,5-triazin-2-yl]amino]propan-2-ol?
1-[[4-amino-6-[bis(2-hydroxypropyl)amino]-1,3,5-triazin-2-yl]amino]propan-2-ol has a molecular weight of 300.36 g/mol, XLogP of -1.19, 8 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-amino-6-[bis(2-hydroxypropyl)amino]-1,3,5-triazin-2-yl]amino]propan-2-ol is sourced from PubChem (CID 19611877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).