2-amino-8-methyl-3,7-dihydropteridin-4-one

C7H9N5O — CID 135454624

IUPAC2-amino-8-methyl-3,7-dihydropteridin-4-one
SMILESCN1CC=Nc2c1nc(N)[nH]c2=O
InChIInChI=1S/C7H9N5O/c1-12-3-2-9-4-5(12)10-7(8)11-6(4)13/h2H,3H2,1H3,(H3,8,10,11,13)
InChIKeyNJYUAWHEKRBMQB-UHFFFAOYSA-N
MW179.18 g/mol
LogP-0.50
Rot. Bonds

About 2-amino-8-methyl-3,7-dihydropteridin-4-one

2-amino-8-methyl-3,7-dihydropteridin-4-one (PubChem CID 135454624) has the molecular formula C7H9N5O and a molecular weight of 179.18 g/mol. Its IUPAC name is 2-amino-8-methyl-3,7-dihydropteridin-4-one.

Molecular Properties

Compound Name2-amino-8-methyl-3,7-dihydropteridin-4-one
PubChem CID135454624
Molecular FormulaC7H9N5O
Molecular Weight179.18 g/mol
Exact Mass179.08
IUPAC Name2-amino-8-methyl-3,7-dihydropteridin-4-one
SMILESCN1CC=Nc2c1nc(N)[nH]c2=O
InChIInChI=1S/C7H9N5O/c1-12-3-2-9-4-5(12)10-7(8)11-6(4)13/h2H,3H2,1H3,(H3,8,10,11,13)
InChIKeyNJYUAWHEKRBMQB-UHFFFAOYSA-N
XLogP-0.50
TPSA87.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-8-methyl-3,7-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-amino-8-methyl-3,7-dihydropteridin-4-one?
The IUPAC name of 2-amino-8-methyl-3,7-dihydropteridin-4-one (CID 135454624) is 2-amino-8-methyl-3,7-dihydropteridin-4-one.
What is the SMILES notation for 2-amino-8-methyl-3,7-dihydropteridin-4-one?
The canonical SMILES for 2-amino-8-methyl-3,7-dihydropteridin-4-one is CN1CC=Nc2c1nc(N)[nH]c2=O.
What is the InChIKey of 2-amino-8-methyl-3,7-dihydropteridin-4-one?
The InChIKey is NJYUAWHEKRBMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O/c1-12-3-2-9-4-5(12)10-7(8)11-6(4)13/h2H,3H2,1H3,(H3,8,10,11,13).
What are the key properties of 2-amino-8-methyl-3,7-dihydropteridin-4-one?
2-amino-8-methyl-3,7-dihydropteridin-4-one has a molecular weight of 179.18 g/mol, XLogP of -0.50, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-methyl-3,7-dihydropteridin-4-one is sourced from PubChem (CID 135454624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).