2-[9-propan-2-yl-6-(pyridazin-4-ylamino)purin-8-yl]propane-1,3-diol

C15H19N7O2 — CID 71716749

IUPAC2-[9-propan-2-yl-6-(pyridazin-4-ylamino)purin-8-yl]propane-1,3-diol
SMILESCC(C)n1c(C(CO)CO)nc2c(Nc3ccnnc3)ncnc21
InChIInChI=1S/C15H19N7O2/c1-9(2)22-14(10(6-23)7-24)21-12-13(16-8-17-15(12)22)20-11-3-4-18-19-5-11/h3-5,8-10,23-24H,6-7H2,1-2H3,(H,16,17,18,20)
InChIKeyNMOPSVILFGBLLC-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.01
Rot. Bonds6

About 2-[9-propan-2-yl-6-(pyridazin-4-ylamino)purin-8-yl]propane-1,3-diol

2-[9-propan-2-yl-6-(pyridazin-4-ylamino)purin-8-yl]propane-1,3-diol (PubChem CID 71716749) has the molecular formula C15H19N7O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-[9-propan-2-yl-6-(pyridazin-4-ylamino)purin-8-yl]propane-1,3-diol.

Molecular Properties

Compound Name2-[9-propan-2-yl-6-(pyridazin-4-ylamino)purin-8-yl]propane-1,3-diol
PubChem CID71716749
Molecular FormulaC15H19N7O2
Molecular Weight329.36 g/mol
Exact Mass329.16
IUPAC Name2-[9-propan-2-yl-6-(pyridazin-4-ylamino)purin-8-yl]propane-1,3-diol
SMILESCC(C)n1c(C(CO)CO)nc2c(Nc3ccnnc3)ncnc21
InChIInChI=1S/C15H19N7O2/c1-9(2)22-14(10(6-23)7-24)21-12-13(16-8-17-15(12)22)20-11-3-4-18-19-5-11/h3-5,8-10,23-24H,6-7H2,1-2H3,(H,16,17,18,20)
InChIKeyNMOPSVILFGBLLC-UHFFFAOYSA-N
XLogP1.01
TPSA121.87 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

(2R)-2-[[9-propan-2-yl-6-(pyridazin-4-ylamino)purin-2-yl]amino]butan-1-ol
CID 71518373
(2S)-2-[[9-propan-2-yl-6-(pyridazin-4-ylamino)purin-2-yl]amino]butan-1-ol
CID 71518374
(2R)-3-methyl-2-[[9-propan-2-yl-6-(pyridazin-4-ylamino)purin-2-yl]amino]butan-1-ol
CID 71518375
(2S)-3-methyl-2-[[9-propan-2-yl-6-(pyridazin-4-ylamino)purin-2-yl]amino]butan-1-ol
CID 71518530
2-[9-Propan-2-yl-6-(pyrimidin-5-ylamino)purin-8-yl]propane-1,3-diol
CID 71717351
2-[9-Propan-2-yl-6-(pyridin-3-ylamino)purin-8-yl]propane-1,3-diol
CID 71717352
2-Methyl-2-[9-propan-2-yl-6-(pyridazin-4-ylamino)purin-2-yl]propan-1-ol
CID 71720387
2-chloro-9-propan-2-yl-N-pyridazin-4-ylpurin-6-amine
CID 71517684
2-[9-Propan-2-yl-6-(pyrimidin-4-ylamino)purin-8-yl]propane-1,3-diol
CID 71717943
1-Isopropylamino-3-(6-pyrrol-1-yl-purin-9-yl)-propan-2-ol
CID 475308
[6-[(3S)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-(pyrimidin-5-ylamino)methanol
CID 126708947
2-[[3-(1-Methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol
CID 58857692

Frequently Asked Questions

What is the IUPAC name of 2-[9-propan-2-yl-6-(pyridazin-4-ylamino)purin-8-yl]propane-1,3-diol?
The IUPAC name of 2-[9-propan-2-yl-6-(pyridazin-4-ylamino)purin-8-yl]propane-1,3-diol (CID 71716749) is 2-[9-propan-2-yl-6-(pyridazin-4-ylamino)purin-8-yl]propane-1,3-diol.
What is the SMILES notation for 2-[9-propan-2-yl-6-(pyridazin-4-ylamino)purin-8-yl]propane-1,3-diol?
The canonical SMILES for 2-[9-propan-2-yl-6-(pyridazin-4-ylamino)purin-8-yl]propane-1,3-diol is CC(C)n1c(C(CO)CO)nc2c(Nc3ccnnc3)ncnc21.
What is the InChIKey of 2-[9-propan-2-yl-6-(pyridazin-4-ylamino)purin-8-yl]propane-1,3-diol?
The InChIKey is NMOPSVILFGBLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7O2/c1-9(2)22-14(10(6-23)7-24)21-12-13(16-8-17-15(12)22)20-11-3-4-18-19-5-11/h3-5,8-10,23-24H,6-7H2,1-2H3,(H,16,17,18,20).
What are the key properties of 2-[9-propan-2-yl-6-(pyridazin-4-ylamino)purin-8-yl]propane-1,3-diol?
2-[9-propan-2-yl-6-(pyridazin-4-ylamino)purin-8-yl]propane-1,3-diol has a molecular weight of 329.36 g/mol, XLogP of 1.01, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-propan-2-yl-6-(pyridazin-4-ylamino)purin-8-yl]propane-1,3-diol is sourced from PubChem (CID 71716749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).