2-[[2-chloro-7-(2-methylpropyl)purin-6-yl]amino]-2-methylpropan-1-ol

C13H20ClN5O — CID 82460380

IUPAC2-[[2-chloro-7-(2-methylpropyl)purin-6-yl]amino]-2-methylpropan-1-ol
SMILESCC(C)Cn1cnc2nc(Cl)nc(NC(C)(C)CO)c21
InChIInChI=1S/C13H20ClN5O/c1-8(2)5-19-7-15-10-9(19)11(17-12(14)16-10)18-13(3,4)6-20/h7-8,20H,5-6H2,1-4H3,(H,16,17,18)
InChIKeyQWVURAAGXFDLCJ-UHFFFAOYSA-N
MW297.79 g/mol
LogP2.32
Rot. Bonds5

About 2-[[2-chloro-7-(2-methylpropyl)purin-6-yl]amino]-2-methylpropan-1-ol

2-[[2-chloro-7-(2-methylpropyl)purin-6-yl]amino]-2-methylpropan-1-ol (PubChem CID 82460380) has the molecular formula C13H20ClN5O and a molecular weight of 297.79 g/mol. Its IUPAC name is 2-[[2-chloro-7-(2-methylpropyl)purin-6-yl]amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[[2-chloro-7-(2-methylpropyl)purin-6-yl]amino]-2-methylpropan-1-ol
PubChem CID82460380
Molecular FormulaC13H20ClN5O
Molecular Weight297.79 g/mol
Exact Mass297.14
IUPAC Name2-[[2-chloro-7-(2-methylpropyl)purin-6-yl]amino]-2-methylpropan-1-ol
SMILESCC(C)Cn1cnc2nc(Cl)nc(NC(C)(C)CO)c21
InChIInChI=1S/C13H20ClN5O/c1-8(2)5-19-7-15-10-9(19)11(17-12(14)16-10)18-13(3,4)6-20/h7-8,20H,5-6H2,1-4H3,(H,16,17,18)
InChIKeyQWVURAAGXFDLCJ-UHFFFAOYSA-N
XLogP2.32
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-7-(2-methylpropyl)purin-6-yl]amino]-2-methylpropan-1-ol?
The IUPAC name of 2-[[2-chloro-7-(2-methylpropyl)purin-6-yl]amino]-2-methylpropan-1-ol (CID 82460380) is 2-[[2-chloro-7-(2-methylpropyl)purin-6-yl]amino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[[2-chloro-7-(2-methylpropyl)purin-6-yl]amino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[[2-chloro-7-(2-methylpropyl)purin-6-yl]amino]-2-methylpropan-1-ol is CC(C)Cn1cnc2nc(Cl)nc(NC(C)(C)CO)c21.
What is the InChIKey of 2-[[2-chloro-7-(2-methylpropyl)purin-6-yl]amino]-2-methylpropan-1-ol?
The InChIKey is QWVURAAGXFDLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN5O/c1-8(2)5-19-7-15-10-9(19)11(17-12(14)16-10)18-13(3,4)6-20/h7-8,20H,5-6H2,1-4H3,(H,16,17,18).
What are the key properties of 2-[[2-chloro-7-(2-methylpropyl)purin-6-yl]amino]-2-methylpropan-1-ol?
2-[[2-chloro-7-(2-methylpropyl)purin-6-yl]amino]-2-methylpropan-1-ol has a molecular weight of 297.79 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-7-(2-methylpropyl)purin-6-yl]amino]-2-methylpropan-1-ol is sourced from PubChem (CID 82460380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).