2-amino-9-methyl-1H-purin-6-one

C6H7N5O — CID 135403591

IUPAC2-amino-9-methyl-1H-purin-6-one
SMILESCn1cnc2c(=O)[nH]c(N)nc21
InChIInChI=1S/C6H7N5O/c1-11-2-8-3-4(11)9-6(7)10-5(3)12/h2H,1H3,(H3,7,9,10,12)
InChIKeyUUWJNBOCAPUTBK-UHFFFAOYSA-N
MW165.16 g/mol
LogP-0.76
Rot. Bonds

About 2-amino-9-methyl-1H-purin-6-one

2-amino-9-methyl-1H-purin-6-one (PubChem CID 135403591) has the molecular formula C6H7N5O and a molecular weight of 165.16 g/mol. Its IUPAC name is 2-amino-9-methyl-1H-purin-6-one.

Molecular Properties

Compound Name2-amino-9-methyl-1H-purin-6-one
PubChem CID135403591
Molecular FormulaC6H7N5O
Molecular Weight165.16 g/mol
Exact Mass165.07
IUPAC Name2-amino-9-methyl-1H-purin-6-one
SMILESCn1cnc2c(=O)[nH]c(N)nc21
InChIInChI=1S/C6H7N5O/c1-11-2-8-3-4(11)9-6(7)10-5(3)12/h2H,1H3,(H3,7,9,10,12)
InChIKeyUUWJNBOCAPUTBK-UHFFFAOYSA-N
XLogP-0.76
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Paraxanthine
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5-Aminoimidazole-4-carboxamide
CID 9679
Hypoxanthine
CID 135398638
Temozolomide
CID 5394
7-Methylxanthine
CID 68374
Dacarbazine
CID 135398738

Frequently Asked Questions

What is the IUPAC name of 2-amino-9-methyl-1H-purin-6-one?
The IUPAC name of 2-amino-9-methyl-1H-purin-6-one (CID 135403591) is 2-amino-9-methyl-1H-purin-6-one.
What is the SMILES notation for 2-amino-9-methyl-1H-purin-6-one?
The canonical SMILES for 2-amino-9-methyl-1H-purin-6-one is Cn1cnc2c(=O)[nH]c(N)nc21.
What is the InChIKey of 2-amino-9-methyl-1H-purin-6-one?
The InChIKey is UUWJNBOCAPUTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5O/c1-11-2-8-3-4(11)9-6(7)10-5(3)12/h2H,1H3,(H3,7,9,10,12).
What are the key properties of 2-amino-9-methyl-1H-purin-6-one?
2-amino-9-methyl-1H-purin-6-one has a molecular weight of 165.16 g/mol, XLogP of -0.76, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-methyl-1H-purin-6-one is sourced from PubChem (CID 135403591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).