2-methyl-2-[9-propan-2-yl-6-(pyridazin-4-ylamino)purin-2-yl]propan-1-ol

C16H21N7O — CID 71720387

IUPAC2-methyl-2-[9-propan-2-yl-6-(pyridazin-4-ylamino)purin-2-yl]propan-1-ol
SMILESCC(C)n1cnc2c(Nc3ccnnc3)nc(C(C)(C)CO)nc21
InChIInChI=1S/C16H21N7O/c1-10(2)23-9-17-12-13(20-11-5-6-18-19-7-11)21-15(22-14(12)23)16(3,4)8-24/h5-7,9-10,24H,8H2,1-4H3,(H,18,20,21,22)
InChIKeyJSJVSQMHVJPNON-UHFFFAOYSA-N
MW327.39 g/mol
LogP2.21
Rot. Bonds5

About 2-methyl-2-[9-propan-2-yl-6-(pyridazin-4-ylamino)purin-2-yl]propan-1-ol

2-methyl-2-[9-propan-2-yl-6-(pyridazin-4-ylamino)purin-2-yl]propan-1-ol (PubChem CID 71720387) has the molecular formula C16H21N7O and a molecular weight of 327.39 g/mol. Its IUPAC name is 2-methyl-2-[9-propan-2-yl-6-(pyridazin-4-ylamino)purin-2-yl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[9-propan-2-yl-6-(pyridazin-4-ylamino)purin-2-yl]propan-1-ol
PubChem CID71720387
Molecular FormulaC16H21N7O
Molecular Weight327.39 g/mol
Exact Mass327.18
IUPAC Name2-methyl-2-[9-propan-2-yl-6-(pyridazin-4-ylamino)purin-2-yl]propan-1-ol
SMILESCC(C)n1cnc2c(Nc3ccnnc3)nc(C(C)(C)CO)nc21
InChIInChI=1S/C16H21N7O/c1-10(2)23-9-17-12-13(20-11-5-6-18-19-7-11)21-15(22-14(12)23)16(3,4)8-24/h5-7,9-10,24H,8H2,1-4H3,(H,18,20,21,22)
InChIKeyJSJVSQMHVJPNON-UHFFFAOYSA-N
XLogP2.21
TPSA101.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 71518375
CID 71518530
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CID 71716749
CID 71716749
CID 71717942
CID 71717942
CID 71517684
CID 71517684
CID 10427424
CID 10427424
CID 475308
CID 475308
CID 69368453
CID 69368453
CID 69368490
CID 69368490
CID 69368509
CID 69368509

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[9-propan-2-yl-6-(pyridazin-4-ylamino)purin-2-yl]propan-1-ol?
The IUPAC name of 2-methyl-2-[9-propan-2-yl-6-(pyridazin-4-ylamino)purin-2-yl]propan-1-ol (CID 71720387) is 2-methyl-2-[9-propan-2-yl-6-(pyridazin-4-ylamino)purin-2-yl]propan-1-ol.
What is the SMILES notation for 2-methyl-2-[9-propan-2-yl-6-(pyridazin-4-ylamino)purin-2-yl]propan-1-ol?
The canonical SMILES for 2-methyl-2-[9-propan-2-yl-6-(pyridazin-4-ylamino)purin-2-yl]propan-1-ol is CC(C)n1cnc2c(Nc3ccnnc3)nc(C(C)(C)CO)nc21.
What is the InChIKey of 2-methyl-2-[9-propan-2-yl-6-(pyridazin-4-ylamino)purin-2-yl]propan-1-ol?
The InChIKey is JSJVSQMHVJPNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7O/c1-10(2)23-9-17-12-13(20-11-5-6-18-19-7-11)21-15(22-14(12)23)16(3,4)8-24/h5-7,9-10,24H,8H2,1-4H3,(H,18,20,21,22).
What are the key properties of 2-methyl-2-[9-propan-2-yl-6-(pyridazin-4-ylamino)purin-2-yl]propan-1-ol?
2-methyl-2-[9-propan-2-yl-6-(pyridazin-4-ylamino)purin-2-yl]propan-1-ol has a molecular weight of 327.39 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[9-propan-2-yl-6-(pyridazin-4-ylamino)purin-2-yl]propan-1-ol is sourced from PubChem (CID 71720387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).