2-(dimethylamino)-3,6,7-trimethyl-6,7-dihydropteridin-4-one

C11H17N5O — CID 71410791

IUPAC2-(dimethylamino)-3,6,7-trimethyl-6,7-dihydropteridin-4-one
SMILESCC1N=c2nc(N(C)C)n(C)c(=O)c2=NC1C
InChIInChI=1S/C11H17N5O/c1-6-7(2)13-9-8(12-6)10(17)16(5)11(14-9)15(3)4/h6-7H,1-5H3
InChIKeyRPPNOQUQTBYTCW-UHFFFAOYSA-N
MW235.29 g/mol
LogP-1.12
Rot. Bonds1

About 2-(dimethylamino)-3,6,7-trimethyl-6,7-dihydropteridin-4-one

2-(dimethylamino)-3,6,7-trimethyl-6,7-dihydropteridin-4-one (PubChem CID 71410791) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-(dimethylamino)-3,6,7-trimethyl-6,7-dihydropteridin-4-one.

Molecular Properties

Compound Name2-(dimethylamino)-3,6,7-trimethyl-6,7-dihydropteridin-4-one
PubChem CID71410791
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name2-(dimethylamino)-3,6,7-trimethyl-6,7-dihydropteridin-4-one
SMILESCC1N=c2nc(N(C)C)n(C)c(=O)c2=NC1C
InChIInChI=1S/C11H17N5O/c1-6-7(2)13-9-8(12-6)10(17)16(5)11(14-9)15(3)4/h6-7H,1-5H3
InChIKeyRPPNOQUQTBYTCW-UHFFFAOYSA-N
XLogP-1.12
TPSA62.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 5-1.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(dimethylamino)-3,6,7-trimethyl-6,7-dihydropteridin-4-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-3,6,7-trimethyl-6,7-dihydropteridin-4-one?
The IUPAC name of 2-(dimethylamino)-3,6,7-trimethyl-6,7-dihydropteridin-4-one (CID 71410791) is 2-(dimethylamino)-3,6,7-trimethyl-6,7-dihydropteridin-4-one.
What is the SMILES notation for 2-(dimethylamino)-3,6,7-trimethyl-6,7-dihydropteridin-4-one?
The canonical SMILES for 2-(dimethylamino)-3,6,7-trimethyl-6,7-dihydropteridin-4-one is CC1N=c2nc(N(C)C)n(C)c(=O)c2=NC1C.
What is the InChIKey of 2-(dimethylamino)-3,6,7-trimethyl-6,7-dihydropteridin-4-one?
The InChIKey is RPPNOQUQTBYTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-6-7(2)13-9-8(12-6)10(17)16(5)11(14-9)15(3)4/h6-7H,1-5H3.
What are the key properties of 2-(dimethylamino)-3,6,7-trimethyl-6,7-dihydropteridin-4-one?
2-(dimethylamino)-3,6,7-trimethyl-6,7-dihydropteridin-4-one has a molecular weight of 235.29 g/mol, XLogP of -1.12, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-3,6,7-trimethyl-6,7-dihydropteridin-4-one is sourced from PubChem (CID 71410791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).