2-amino-8,9-dimethyl-4,5-dihydro-1H-purin-6-one

C7H11N5O — CID 58099815

IUPAC2-amino-8,9-dimethyl-4,5-dihydro-1H-purin-6-one
SMILESCC1=NC2C(=O)NC(N)=NC2N1C
InChIInChI=1S/C7H11N5O/c1-3-9-4-5(12(3)2)10-7(8)11-6(4)13/h4-5H,1-2H3,(H3,8,10,11,13)
InChIKeyLBMMDNXFHHDWOW-UHFFFAOYSA-N
MW181.20 g/mol
LogP-1.51
Rot. Bonds

About 2-amino-8,9-dimethyl-4,5-dihydro-1H-purin-6-one

2-amino-8,9-dimethyl-4,5-dihydro-1H-purin-6-one (PubChem CID 58099815) has the molecular formula C7H11N5O and a molecular weight of 181.20 g/mol. Its IUPAC name is 2-amino-8,9-dimethyl-4,5-dihydro-1H-purin-6-one.

Molecular Properties

Compound Name2-amino-8,9-dimethyl-4,5-dihydro-1H-purin-6-one
PubChem CID58099815
Molecular FormulaC7H11N5O
Molecular Weight181.20 g/mol
Exact Mass181.10
IUPAC Name2-amino-8,9-dimethyl-4,5-dihydro-1H-purin-6-one
SMILESCC1=NC2C(=O)NC(N)=NC2N1C
InChIInChI=1S/C7H11N5O/c1-3-9-4-5(12(3)2)10-7(8)11-6(4)13/h4-5H,1-2H3,(H3,8,10,11,13)
InChIKeyLBMMDNXFHHDWOW-UHFFFAOYSA-N
XLogP-1.51
TPSA83.08 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 ≤ 5-1.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8,9-dimethyl-4,5-dihydro-1H-purin-6-one?
The IUPAC name of 2-amino-8,9-dimethyl-4,5-dihydro-1H-purin-6-one (CID 58099815) is 2-amino-8,9-dimethyl-4,5-dihydro-1H-purin-6-one.
What is the SMILES notation for 2-amino-8,9-dimethyl-4,5-dihydro-1H-purin-6-one?
The canonical SMILES for 2-amino-8,9-dimethyl-4,5-dihydro-1H-purin-6-one is CC1=NC2C(=O)NC(N)=NC2N1C.
What is the InChIKey of 2-amino-8,9-dimethyl-4,5-dihydro-1H-purin-6-one?
The InChIKey is LBMMDNXFHHDWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O/c1-3-9-4-5(12(3)2)10-7(8)11-6(4)13/h4-5H,1-2H3,(H3,8,10,11,13).
What are the key properties of 2-amino-8,9-dimethyl-4,5-dihydro-1H-purin-6-one?
2-amino-8,9-dimethyl-4,5-dihydro-1H-purin-6-one has a molecular weight of 181.20 g/mol, XLogP of -1.51, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8,9-dimethyl-4,5-dihydro-1H-purin-6-one is sourced from PubChem (CID 58099815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).