2-(dimethylamino)-1,8-dimethyl-7H-purin-6-one

C9H13N5O — CID 54007266

IUPAC2-(dimethylamino)-1,8-dimethyl-7H-purin-6-one
SMILESCc1nc2nc(N(C)C)n(C)c(=O)c2[nH]1
InChIInChI=1S/C9H13N5O/c1-5-10-6-7(11-5)12-9(13(2)3)14(4)8(6)15/h1-4H3,(H,10,11)
InChIKeyKPTRZYHWNGZZNY-UHFFFAOYSA-N
MW207.24 g/mol
LogP0.03
Rot. Bonds1

About 2-(dimethylamino)-1,8-dimethyl-7H-purin-6-one

2-(dimethylamino)-1,8-dimethyl-7H-purin-6-one (PubChem CID 54007266) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is 2-(dimethylamino)-1,8-dimethyl-7H-purin-6-one.

Molecular Properties

Compound Name2-(dimethylamino)-1,8-dimethyl-7H-purin-6-one
PubChem CID54007266
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name2-(dimethylamino)-1,8-dimethyl-7H-purin-6-one
SMILESCc1nc2nc(N(C)C)n(C)c(=O)c2[nH]1
InChIInChI=1S/C9H13N5O/c1-5-10-6-7(11-5)12-9(13(2)3)14(4)8(6)15/h1-4H3,(H,10,11)
InChIKeyKPTRZYHWNGZZNY-UHFFFAOYSA-N
XLogP0.03
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1,8-dimethyl-7H-purin-6-one?
The IUPAC name of 2-(dimethylamino)-1,8-dimethyl-7H-purin-6-one (CID 54007266) is 2-(dimethylamino)-1,8-dimethyl-7H-purin-6-one.
What is the SMILES notation for 2-(dimethylamino)-1,8-dimethyl-7H-purin-6-one?
The canonical SMILES for 2-(dimethylamino)-1,8-dimethyl-7H-purin-6-one is Cc1nc2nc(N(C)C)n(C)c(=O)c2[nH]1.
What is the InChIKey of 2-(dimethylamino)-1,8-dimethyl-7H-purin-6-one?
The InChIKey is KPTRZYHWNGZZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-5-10-6-7(11-5)12-9(13(2)3)14(4)8(6)15/h1-4H3,(H,10,11).
What are the key properties of 2-(dimethylamino)-1,8-dimethyl-7H-purin-6-one?
2-(dimethylamino)-1,8-dimethyl-7H-purin-6-one has a molecular weight of 207.24 g/mol, XLogP of 0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1,8-dimethyl-7H-purin-6-one is sourced from PubChem (CID 54007266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).