6-amino-7-methyl-9H-purin-8-one

C6H7N5O — CID 10820927

IUPAC6-amino-7-methyl-9H-purin-8-one
SMILESCn1c(=O)[nH]c2ncnc(N)c21
InChIInChI=1S/C6H7N5O/c1-11-3-4(7)8-2-9-5(3)10-6(11)12/h2H,1H3,(H3,7,8,9,10,12)
InChIKeyCKMRTJFKEVFFIF-UHFFFAOYSA-N
MW165.16 g/mol
LogP-0.76
Rot. Bonds

About 6-amino-7-methyl-9H-purin-8-one

6-amino-7-methyl-9H-purin-8-one (PubChem CID 10820927) has the molecular formula C6H7N5O and a molecular weight of 165.16 g/mol. Its IUPAC name is 6-amino-7-methyl-9H-purin-8-one.

Molecular Properties

Compound Name6-amino-7-methyl-9H-purin-8-one
PubChem CID10820927
Molecular FormulaC6H7N5O
Molecular Weight165.16 g/mol
Exact Mass165.07
IUPAC Name6-amino-7-methyl-9H-purin-8-one
SMILESCn1c(=O)[nH]c2ncnc(N)c21
InChIInChI=1S/C6H7N5O/c1-11-3-4(7)8-2-9-5(3)10-6(11)12/h2H,1H3,(H3,7,8,9,10,12)
InChIKeyCKMRTJFKEVFFIF-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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Frequently Asked Questions

What is the IUPAC name of 6-amino-7-methyl-9H-purin-8-one?
The IUPAC name of 6-amino-7-methyl-9H-purin-8-one (CID 10820927) is 6-amino-7-methyl-9H-purin-8-one.
What is the SMILES notation for 6-amino-7-methyl-9H-purin-8-one?
The canonical SMILES for 6-amino-7-methyl-9H-purin-8-one is Cn1c(=O)[nH]c2ncnc(N)c21.
What is the InChIKey of 6-amino-7-methyl-9H-purin-8-one?
The InChIKey is CKMRTJFKEVFFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5O/c1-11-3-4(7)8-2-9-5(3)10-6(11)12/h2H,1H3,(H3,7,8,9,10,12).
What are the key properties of 6-amino-7-methyl-9H-purin-8-one?
6-amino-7-methyl-9H-purin-8-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 6-amino-7-methyl-9H-purin-8-one is sourced from PubChem (CID 10820927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).