6-(dimethylamino)-1,3,4,7-tetrahydropurin-2-one

C7H11N5O — CID 123734877

IUPAC6-(dimethylamino)-1,3,4,7-tetrahydropurin-2-one
SMILESCN(C)C1=C2NC=NC2NC(=O)N1
InChIInChI=1S/C7H11N5O/c1-12(2)6-4-5(9-3-8-4)10-7(13)11-6/h3,5H,1-2H3,(H,8,9)(H2,10,11,13)
InChIKeyJCRZYMUYGYMCOM-UHFFFAOYSA-N
MW181.20 g/mol
LogP-1.01
Rot. Bonds1

About 6-(dimethylamino)-1,3,4,7-tetrahydropurin-2-one

6-(dimethylamino)-1,3,4,7-tetrahydropurin-2-one (PubChem CID 123734877) has the molecular formula C7H11N5O and a molecular weight of 181.20 g/mol. Its IUPAC name is 6-(dimethylamino)-1,3,4,7-tetrahydropurin-2-one.

Molecular Properties

Compound Name6-(dimethylamino)-1,3,4,7-tetrahydropurin-2-one
PubChem CID123734877
Molecular FormulaC7H11N5O
Molecular Weight181.20 g/mol
Exact Mass181.10
IUPAC Name6-(dimethylamino)-1,3,4,7-tetrahydropurin-2-one
SMILESCN(C)C1=C2NC=NC2NC(=O)N1
InChIInChI=1S/C7H11N5O/c1-12(2)6-4-5(9-3-8-4)10-7(13)11-6/h3,5H,1-2H3,(H,8,9)(H2,10,11,13)
InChIKeyJCRZYMUYGYMCOM-UHFFFAOYSA-N
XLogP-1.01
TPSA68.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-1,3,4,7-tetrahydropurin-2-one?
The IUPAC name of 6-(dimethylamino)-1,3,4,7-tetrahydropurin-2-one (CID 123734877) is 6-(dimethylamino)-1,3,4,7-tetrahydropurin-2-one.
What is the SMILES notation for 6-(dimethylamino)-1,3,4,7-tetrahydropurin-2-one?
The canonical SMILES for 6-(dimethylamino)-1,3,4,7-tetrahydropurin-2-one is CN(C)C1=C2NC=NC2NC(=O)N1.
What is the InChIKey of 6-(dimethylamino)-1,3,4,7-tetrahydropurin-2-one?
The InChIKey is JCRZYMUYGYMCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O/c1-12(2)6-4-5(9-3-8-4)10-7(13)11-6/h3,5H,1-2H3,(H,8,9)(H2,10,11,13).
What are the key properties of 6-(dimethylamino)-1,3,4,7-tetrahydropurin-2-one?
6-(dimethylamino)-1,3,4,7-tetrahydropurin-2-one has a molecular weight of 181.20 g/mol, XLogP of -1.01, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-1,3,4,7-tetrahydropurin-2-one is sourced from PubChem (CID 123734877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).