2-amino-7,9-dimethyl-1,8-dihydropurin-6-one

C7H11N5O — CID 135687059

IUPAC2-amino-7,9-dimethyl-1,8-dihydropurin-6-one
SMILESCN1CN(C)c2c1nc(N)[nH]c2=O
InChIInChI=1S/C7H11N5O/c1-11-3-12(2)5-4(11)6(13)10-7(8)9-5/h3H2,1-2H3,(H3,8,9,10,13)
InChIKeyKKQKBURHSNOSCZ-UHFFFAOYSA-N
MW181.20 g/mol
LogP-0.80
Rot. Bonds

About 2-amino-7,9-dimethyl-1,8-dihydropurin-6-one

2-amino-7,9-dimethyl-1,8-dihydropurin-6-one (PubChem CID 135687059) has the molecular formula C7H11N5O and a molecular weight of 181.20 g/mol. Its IUPAC name is 2-amino-7,9-dimethyl-1,8-dihydropurin-6-one.

Molecular Properties

Compound Name2-amino-7,9-dimethyl-1,8-dihydropurin-6-one
PubChem CID135687059
Molecular FormulaC7H11N5O
Molecular Weight181.20 g/mol
Exact Mass181.10
IUPAC Name2-amino-7,9-dimethyl-1,8-dihydropurin-6-one
SMILESCN1CN(C)c2c1nc(N)[nH]c2=O
InChIInChI=1S/C7H11N5O/c1-11-3-12(2)5-4(11)6(13)10-7(8)9-5/h3H2,1-2H3,(H3,8,9,10,13)
InChIKeyKKQKBURHSNOSCZ-UHFFFAOYSA-N
XLogP-0.80
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7,9-dimethyl-1,8-dihydropurin-6-one?
The IUPAC name of 2-amino-7,9-dimethyl-1,8-dihydropurin-6-one (CID 135687059) is 2-amino-7,9-dimethyl-1,8-dihydropurin-6-one.
What is the SMILES notation for 2-amino-7,9-dimethyl-1,8-dihydropurin-6-one?
The canonical SMILES for 2-amino-7,9-dimethyl-1,8-dihydropurin-6-one is CN1CN(C)c2c1nc(N)[nH]c2=O.
What is the InChIKey of 2-amino-7,9-dimethyl-1,8-dihydropurin-6-one?
The InChIKey is KKQKBURHSNOSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O/c1-11-3-12(2)5-4(11)6(13)10-7(8)9-5/h3H2,1-2H3,(H3,8,9,10,13).
What are the key properties of 2-amino-7,9-dimethyl-1,8-dihydropurin-6-one?
2-amino-7,9-dimethyl-1,8-dihydropurin-6-one has a molecular weight of 181.20 g/mol, XLogP of -0.80, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7,9-dimethyl-1,8-dihydropurin-6-one is sourced from PubChem (CID 135687059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).