9-(1-aminopropan-2-yl)-1H-purin-6-one

C8H11N5O — CID 163658451

IUPAC9-(1-aminopropan-2-yl)-1H-purin-6-one
SMILESCC(CN)n1cnc2c(=O)[nH]cnc21
InChIInChI=1S/C8H11N5O/c1-5(2-9)13-4-12-6-7(13)10-3-11-8(6)14/h3-5H,2,9H2,1H3,(H,10,11,14)
InChIKeyISGSXCNBQSYUOI-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.36
Rot. Bonds2

About 9-(1-aminopropan-2-yl)-1H-purin-6-one

9-(1-aminopropan-2-yl)-1H-purin-6-one (PubChem CID 163658451) has the molecular formula C8H11N5O and a molecular weight of 193.21 g/mol. Its IUPAC name is 9-(1-aminopropan-2-yl)-1H-purin-6-one.

Molecular Properties

Compound Name9-(1-aminopropan-2-yl)-1H-purin-6-one
PubChem CID163658451
Molecular FormulaC8H11N5O
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC Name9-(1-aminopropan-2-yl)-1H-purin-6-one
SMILESCC(CN)n1cnc2c(=O)[nH]cnc21
InChIInChI=1S/C8H11N5O/c1-5(2-9)13-4-12-6-7(13)10-3-11-8(6)14/h3-5H,2,9H2,1H3,(H,10,11,14)
InChIKeyISGSXCNBQSYUOI-UHFFFAOYSA-N
XLogP-0.36
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(1-aminopropan-2-yl)-1H-purin-6-one?
The IUPAC name of 9-(1-aminopropan-2-yl)-1H-purin-6-one (CID 163658451) is 9-(1-aminopropan-2-yl)-1H-purin-6-one.
What is the SMILES notation for 9-(1-aminopropan-2-yl)-1H-purin-6-one?
The canonical SMILES for 9-(1-aminopropan-2-yl)-1H-purin-6-one is CC(CN)n1cnc2c(=O)[nH]cnc21.
What is the InChIKey of 9-(1-aminopropan-2-yl)-1H-purin-6-one?
The InChIKey is ISGSXCNBQSYUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O/c1-5(2-9)13-4-12-6-7(13)10-3-11-8(6)14/h3-5H,2,9H2,1H3,(H,10,11,14).
What are the key properties of 9-(1-aminopropan-2-yl)-1H-purin-6-one?
9-(1-aminopropan-2-yl)-1H-purin-6-one has a molecular weight of 193.21 g/mol, XLogP of -0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-aminopropan-2-yl)-1H-purin-6-one is sourced from PubChem (CID 163658451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).