(2R)-2-[[4-[[(2S)-1-hydroxybutan-2-yl]amino]-6-(oxolan-2-ylmethylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol

C16H30N6O3 — CID 23758282

IUPAC(2R)-2-[[4-[[(2S)-1-hydroxybutan-2-yl]amino]-6-(oxolan-2-ylmethylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
SMILESCC[C@H](CO)Nc1nc(NCC2CCCO2)nc(N[C@@H](CC)CO)n1
InChIInChI=1S/C16H30N6O3/c1-3-11(9-23)18-15-20-14(17-8-13-6-5-7-25-13)21-16(22-15)19-12(4-2)10-24/h11-13,23-24H,3-10H2,1-2H3,(H3,17,18,19,20,21,22)/t11-,12+,13?
InChIKeyYZCAWGSRZIHQKB-FUNVUKJBSA-N
MW354.46 g/mol
LogP0.83
Rot. Bonds11

About (2R)-2-[[4-[[(2S)-1-hydroxybutan-2-yl]amino]-6-(oxolan-2-ylmethylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol

(2R)-2-[[4-[[(2S)-1-hydroxybutan-2-yl]amino]-6-(oxolan-2-ylmethylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol (PubChem CID 23758282) has the molecular formula C16H30N6O3 and a molecular weight of 354.46 g/mol. Its IUPAC name is (2R)-2-[[4-[[(2S)-1-hydroxybutan-2-yl]amino]-6-(oxolan-2-ylmethylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[4-[[(2S)-1-hydroxybutan-2-yl]amino]-6-(oxolan-2-ylmethylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
PubChem CID23758282
Molecular FormulaC16H30N6O3
Molecular Weight354.46 g/mol
Exact Mass354.24
IUPAC Name(2R)-2-[[4-[[(2S)-1-hydroxybutan-2-yl]amino]-6-(oxolan-2-ylmethylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
SMILESCC[C@H](CO)Nc1nc(NCC2CCCO2)nc(N[C@@H](CC)CO)n1
InChIInChI=1S/C16H30N6O3/c1-3-11(9-23)18-15-20-14(17-8-13-6-5-7-25-13)21-16(22-15)19-12(4-2)10-24/h11-13,23-24H,3-10H2,1-2H3,(H3,17,18,19,20,21,22)/t11-,12+,13?
InChIKeyYZCAWGSRZIHQKB-FUNVUKJBSA-N
XLogP0.83
TPSA124.45 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 50.83
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze (2R)-2-[[4-[[(2S)-1-hydroxybutan-2-yl]amino]-6-(oxolan-2-ylmethylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-[[(2S)-1-hydroxybutan-2-yl]amino]-6-(oxolan-2-ylmethylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol?
The IUPAC name of (2R)-2-[[4-[[(2S)-1-hydroxybutan-2-yl]amino]-6-(oxolan-2-ylmethylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol (CID 23758282) is (2R)-2-[[4-[[(2S)-1-hydroxybutan-2-yl]amino]-6-(oxolan-2-ylmethylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol.
What is the SMILES notation for (2R)-2-[[4-[[(2S)-1-hydroxybutan-2-yl]amino]-6-(oxolan-2-ylmethylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol?
The canonical SMILES for (2R)-2-[[4-[[(2S)-1-hydroxybutan-2-yl]amino]-6-(oxolan-2-ylmethylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol is CC[C@H](CO)Nc1nc(NCC2CCCO2)nc(N[C@@H](CC)CO)n1.
What is the InChIKey of (2R)-2-[[4-[[(2S)-1-hydroxybutan-2-yl]amino]-6-(oxolan-2-ylmethylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol?
The InChIKey is YZCAWGSRZIHQKB-FUNVUKJBSA-N. The full InChI is InChI=1S/C16H30N6O3/c1-3-11(9-23)18-15-20-14(17-8-13-6-5-7-25-13)21-16(22-15)19-12(4-2)10-24/h11-13,23-24H,3-10H2,1-2H3,(H3,17,18,19,20,21,22)/t11-,12+,13?.
What are the key properties of (2R)-2-[[4-[[(2S)-1-hydroxybutan-2-yl]amino]-6-(oxolan-2-ylmethylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol?
(2R)-2-[[4-[[(2S)-1-hydroxybutan-2-yl]amino]-6-(oxolan-2-ylmethylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol has a molecular weight of 354.46 g/mol, XLogP of 0.83, 11 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-[[(2S)-1-hydroxybutan-2-yl]amino]-6-(oxolan-2-ylmethylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol is sourced from PubChem (CID 23758282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).