1-methyl-7H-purin-8-one

C6H6N4O — CID 119097784

IUPAC1-methyl-7H-purin-8-one
SMILESCn1cnc2nc(=O)[nH]c-2c1
InChIInChI=1S/C6H6N4O/c1-10-2-4-5(7-3-10)9-6(11)8-4/h2-3H,1H3,(H,8,11)
InChIKeyLWYOJIWYBRXCJC-UHFFFAOYSA-N
MW150.14 g/mol
LogP-0.39
Rot. Bonds

About 1-methyl-7H-purin-8-one

1-methyl-7H-purin-8-one (PubChem CID 119097784) has the molecular formula C6H6N4O and a molecular weight of 150.14 g/mol. Its IUPAC name is 1-methyl-7H-purin-8-one.

Molecular Properties

Compound Name1-methyl-7H-purin-8-one
PubChem CID119097784
Molecular FormulaC6H6N4O
Molecular Weight150.14 g/mol
Exact Mass150.05
IUPAC Name1-methyl-7H-purin-8-one
SMILESCn1cnc2nc(=O)[nH]c-2c1
InChIInChI=1S/C6H6N4O/c1-10-2-4-5(7-3-10)9-6(11)8-4/h2-3H,1H3,(H,8,11)
InChIKeyLWYOJIWYBRXCJC-UHFFFAOYSA-N
XLogP-0.39
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-1H-imidazo[4,5-b]pyridin-2-one
CID 910870
1-Methyl-2-hydroxypurine
CID 12257631
purine-2,8(1H,7H)-dione, 1-methyl-
CID 23422305
purin-8(3H)-one, 3-methyl-
CID 85804802
8-fluoro-1-propan-2-yl-7H-purin-2-one
CID 122543803
8-fluoro-1-methyl-7H-purin-2-one
CID 122545074
1,3-Dimethyl-2,8-dioxo purine
CID 129818009
6,9-dimethyl-1H-purin-2-one
CID 12212198
1,3-Dimethylpurin-2-one
CID 20781927
S-[(2-amino-3-methyl-2H-purin-1-yl)] carbamothioate
CID 57290949
1,3-Dimethyl-7,8-dihydropurin-2-one
CID 91219653
1-propan-2-yl-7H-purin-2-one
CID 122543800

Frequently Asked Questions

What is the IUPAC name of 1-methyl-7H-purin-8-one?
The IUPAC name of 1-methyl-7H-purin-8-one (CID 119097784) is 1-methyl-7H-purin-8-one.
What is the SMILES notation for 1-methyl-7H-purin-8-one?
The canonical SMILES for 1-methyl-7H-purin-8-one is Cn1cnc2nc(=O)[nH]c-2c1.
What is the InChIKey of 1-methyl-7H-purin-8-one?
The InChIKey is LWYOJIWYBRXCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O/c1-10-2-4-5(7-3-10)9-6(11)8-4/h2-3H,1H3,(H,8,11).
What are the key properties of 1-methyl-7H-purin-8-one?
1-methyl-7H-purin-8-one has a molecular weight of 150.14 g/mol, XLogP of -0.39, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7H-purin-8-one is sourced from PubChem (CID 119097784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).