9-methyl-2-(propylamino)-1H-purin-6-one

C9H13N5O — CID 170237995

IUPAC9-methyl-2-(propylamino)-1H-purin-6-one
SMILESCCCNc1nc2c(ncn2C)c(=O)[nH]1
InChIInChI=1S/C9H13N5O/c1-3-4-10-9-12-7-6(8(15)13-9)11-5-14(7)2/h5H,3-4H2,1-2H3,(H2,10,12,13,15)
InChIKeyDFXWQHZRAPDFHT-UHFFFAOYSA-N
MW207.24 g/mol
LogP0.48
Rot. Bonds3

About 9-methyl-2-(propylamino)-1H-purin-6-one

9-methyl-2-(propylamino)-1H-purin-6-one (PubChem CID 170237995) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is 9-methyl-2-(propylamino)-1H-purin-6-one.

Molecular Properties

Compound Name9-methyl-2-(propylamino)-1H-purin-6-one
PubChem CID170237995
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name9-methyl-2-(propylamino)-1H-purin-6-one
SMILESCCCNc1nc2c(ncn2C)c(=O)[nH]1
InChIInChI=1S/C9H13N5O/c1-3-4-10-9-12-7-6(8(15)13-9)11-5-14(7)2/h5H,3-4H2,1-2H3,(H2,10,12,13,15)
InChIKeyDFXWQHZRAPDFHT-UHFFFAOYSA-N
XLogP0.48
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-5-(propylamino)-6H-triazolo[4,5-d]pyrimidin-7-one
CID 170237990
5,7-dimethyl-2-(propylamino)-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 170237991
(E)-3-[(9-methyl-6-oxo-1H-purin-2-yl)amino]prop-2-enal
CID 136771561
9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(propylamino)-1H-purin-6-one
CID 135501950
9-methyl-2-(oxolan-2-ylmethylamino)-1H-purin-6-one
CID 137288300
2-(propylamino)-3H-pteridin-4-one
CID 141118544
2-[(9-methyl-6-oxo-1H-purin-2-yl)amino]propanoic acid
CID 136814895
2-(iodoamino)-9-methyl-1H-purin-6-one;2-methoxypropan-1-ol
CID 144766943
2-amino-9-[2-(ethylamino)-6-oxo-1H-purin-9-yl]-1H-purin-6-one
CID 136657308
2-(butylamino)-9-[(2R,3R,4S)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-1H-purin-6-one
CID 136509473
2-(propylamino)-3H-quinazolin-4-one
CID 135439661
9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(ethylamino)-1H-purin-6-one
CID 155898515

Frequently Asked Questions

What is the IUPAC name of 9-methyl-2-(propylamino)-1H-purin-6-one?
The IUPAC name of 9-methyl-2-(propylamino)-1H-purin-6-one (CID 170237995) is 9-methyl-2-(propylamino)-1H-purin-6-one.
What is the SMILES notation for 9-methyl-2-(propylamino)-1H-purin-6-one?
The canonical SMILES for 9-methyl-2-(propylamino)-1H-purin-6-one is CCCNc1nc2c(ncn2C)c(=O)[nH]1.
What is the InChIKey of 9-methyl-2-(propylamino)-1H-purin-6-one?
The InChIKey is DFXWQHZRAPDFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-3-4-10-9-12-7-6(8(15)13-9)11-5-14(7)2/h5H,3-4H2,1-2H3,(H2,10,12,13,15).
What are the key properties of 9-methyl-2-(propylamino)-1H-purin-6-one?
9-methyl-2-(propylamino)-1H-purin-6-one has a molecular weight of 207.24 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2-(propylamino)-1H-purin-6-one is sourced from PubChem (CID 170237995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).