2-(dimethylamino)-7,9-dimethyl-1,8-dihydropurin-6-one

C9H15N5O — CID 163106187

IUPAC2-(dimethylamino)-7,9-dimethyl-1,8-dihydropurin-6-one
SMILESCN(C)c1nc2c(c(=O)[nH]1)N(C)CN2C
InChIInChI=1S/C9H15N5O/c1-12(2)9-10-7-6(8(15)11-9)13(3)5-14(7)4/h5H2,1-4H3,(H,10,11,15)
InChIKeyUMTVZFRPWXBUBE-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.32
Rot. Bonds1

About 2-(dimethylamino)-7,9-dimethyl-1,8-dihydropurin-6-one

2-(dimethylamino)-7,9-dimethyl-1,8-dihydropurin-6-one (PubChem CID 163106187) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-(dimethylamino)-7,9-dimethyl-1,8-dihydropurin-6-one.

Molecular Properties

Compound Name2-(dimethylamino)-7,9-dimethyl-1,8-dihydropurin-6-one
PubChem CID163106187
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name2-(dimethylamino)-7,9-dimethyl-1,8-dihydropurin-6-one
SMILESCN(C)c1nc2c(c(=O)[nH]1)N(C)CN2C
InChIInChI=1S/C9H15N5O/c1-12(2)9-10-7-6(8(15)11-9)13(3)5-14(7)4/h5H2,1-4H3,(H,10,11,15)
InChIKeyUMTVZFRPWXBUBE-UHFFFAOYSA-N
XLogP-0.32
TPSA55.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-7,9-dimethyl-1,8-dihydropurin-6-one?
The IUPAC name of 2-(dimethylamino)-7,9-dimethyl-1,8-dihydropurin-6-one (CID 163106187) is 2-(dimethylamino)-7,9-dimethyl-1,8-dihydropurin-6-one.
What is the SMILES notation for 2-(dimethylamino)-7,9-dimethyl-1,8-dihydropurin-6-one?
The canonical SMILES for 2-(dimethylamino)-7,9-dimethyl-1,8-dihydropurin-6-one is CN(C)c1nc2c(c(=O)[nH]1)N(C)CN2C.
What is the InChIKey of 2-(dimethylamino)-7,9-dimethyl-1,8-dihydropurin-6-one?
The InChIKey is UMTVZFRPWXBUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c1-12(2)9-10-7-6(8(15)11-9)13(3)5-14(7)4/h5H2,1-4H3,(H,10,11,15).
What are the key properties of 2-(dimethylamino)-7,9-dimethyl-1,8-dihydropurin-6-one?
2-(dimethylamino)-7,9-dimethyl-1,8-dihydropurin-6-one has a molecular weight of 209.25 g/mol, XLogP of -0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-7,9-dimethyl-1,8-dihydropurin-6-one is sourced from PubChem (CID 163106187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).