8-(dimethylamino)-3-methyl-7-prop-2-enyl-4,5-dihydropurine-2,6-dione

C11H17N5O2 — CID 78204406

IUPAC8-(dimethylamino)-3-methyl-7-prop-2-enyl-4,5-dihydropurine-2,6-dione
SMILESC=CCN1C(N(C)C)=NC2C1C(=O)NC(=O)N2C
InChIInChI=1S/C11H17N5O2/c1-5-6-16-7-8(12-10(16)14(2)3)15(4)11(18)13-9(7)17/h5,7-8H,1,6H2,2-4H3,(H,13,17,18)
InChIKeyTUHXDRTZXNBBAN-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.72
Rot. Bonds2

About 8-(dimethylamino)-3-methyl-7-prop-2-enyl-4,5-dihydropurine-2,6-dione

8-(dimethylamino)-3-methyl-7-prop-2-enyl-4,5-dihydropurine-2,6-dione (PubChem CID 78204406) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 8-(dimethylamino)-3-methyl-7-prop-2-enyl-4,5-dihydropurine-2,6-dione.

Molecular Properties

Compound Name8-(dimethylamino)-3-methyl-7-prop-2-enyl-4,5-dihydropurine-2,6-dione
PubChem CID78204406
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name8-(dimethylamino)-3-methyl-7-prop-2-enyl-4,5-dihydropurine-2,6-dione
SMILESC=CCN1C(N(C)C)=NC2C1C(=O)NC(=O)N2C
InChIInChI=1S/C11H17N5O2/c1-5-6-16-7-8(12-10(16)14(2)3)15(4)11(18)13-9(7)17/h5,7-8H,1,6H2,2-4H3,(H,13,17,18)
InChIKeyTUHXDRTZXNBBAN-UHFFFAOYSA-N
XLogP-0.72
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 8-(dimethylamino)-3-methyl-7-prop-2-enyl-4,5-dihydropurine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-butyl-3-propyl-5,7-dihydro-4H-purine-2,6-dione
CID 44339609
1-methyl-3-(2-methylpropyl)-5,7-dihydro-4H-purine-2,6-dione
CID 526707
3,7-Dimethyl-1-prop-2-enyl-4,5-dihydropurine-2,6-dione
CID 135044914
3-propyl-5,7-dihydro-4H-purine-2,6-dione
CID 45272369
2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)-N-methylacetamide
CID 59121523
3-propan-2-yl-5,7-dihydro-4H-purine-2,6-dione
CID 137418846
1-tert-butyl-7-methyl-4,5-dihydro-3H-purine-2,6-dione
CID 139494799
8-amino-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-dione
CID 10467447
3-Methyl-7-propyl-4,5-dihydropurine-2,6-dione
CID 11521330
1,3-Dimethyl-8-piperazinyl-1,3,4,5-tetrahydropurine-2,6-dione
CID 16637311
2-(1,3-Dimethyl-2,6-dioxo-4,5-dihydropurin-9-yl)acetamide
CID 21212417
2-[8-(Dimethylamino)-3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl]acetamide
CID 45053504

Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-3-methyl-7-prop-2-enyl-4,5-dihydropurine-2,6-dione?
The IUPAC name of 8-(dimethylamino)-3-methyl-7-prop-2-enyl-4,5-dihydropurine-2,6-dione (CID 78204406) is 8-(dimethylamino)-3-methyl-7-prop-2-enyl-4,5-dihydropurine-2,6-dione.
What is the SMILES notation for 8-(dimethylamino)-3-methyl-7-prop-2-enyl-4,5-dihydropurine-2,6-dione?
The canonical SMILES for 8-(dimethylamino)-3-methyl-7-prop-2-enyl-4,5-dihydropurine-2,6-dione is C=CCN1C(N(C)C)=NC2C1C(=O)NC(=O)N2C.
What is the InChIKey of 8-(dimethylamino)-3-methyl-7-prop-2-enyl-4,5-dihydropurine-2,6-dione?
The InChIKey is TUHXDRTZXNBBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-5-6-16-7-8(12-10(16)14(2)3)15(4)11(18)13-9(7)17/h5,7-8H,1,6H2,2-4H3,(H,13,17,18).
What are the key properties of 8-(dimethylamino)-3-methyl-7-prop-2-enyl-4,5-dihydropurine-2,6-dione?
8-(dimethylamino)-3-methyl-7-prop-2-enyl-4,5-dihydropurine-2,6-dione has a molecular weight of 251.29 g/mol, XLogP of -0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-3-methyl-7-prop-2-enyl-4,5-dihydropurine-2,6-dione is sourced from PubChem (CID 78204406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).