1-(2,4-diamino-7,8-dihydro-6H-pteridin-5-yl)ethanone

C8H12N6O — CID 91824304

IUPAC1-(2,4-diamino-7,8-dihydro-6H-pteridin-5-yl)ethanone
SMILESCC(=O)N1CCNc2nc(N)nc(N)c21
InChIInChI=1S/C8H12N6O/c1-4(15)14-3-2-11-7-5(14)6(9)12-8(10)13-7/h2-3H2,1H3,(H5,9,10,11,12,13)
InChIKeyUJOCHXSZBWVPEH-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.58
Rot. Bonds

About 1-(2,4-diamino-7,8-dihydro-6H-pteridin-5-yl)ethanone

1-(2,4-diamino-7,8-dihydro-6H-pteridin-5-yl)ethanone (PubChem CID 91824304) has the molecular formula C8H12N6O and a molecular weight of 208.22 g/mol. Its IUPAC name is 1-(2,4-diamino-7,8-dihydro-6H-pteridin-5-yl)ethanone.

Molecular Properties

Compound Name1-(2,4-diamino-7,8-dihydro-6H-pteridin-5-yl)ethanone
PubChem CID91824304
Molecular FormulaC8H12N6O
Molecular Weight208.22 g/mol
Exact Mass208.11
IUPAC Name1-(2,4-diamino-7,8-dihydro-6H-pteridin-5-yl)ethanone
SMILESCC(=O)N1CCNc2nc(N)nc(N)c21
InChIInChI=1S/C8H12N6O/c1-4(15)14-3-2-11-7-5(14)6(9)12-8(10)13-7/h2-3H2,1H3,(H5,9,10,11,12,13)
InChIKeyUJOCHXSZBWVPEH-UHFFFAOYSA-N
XLogP-0.58
TPSA110.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-(2,4-diamino-7,8-dihydro-6H-pteridin-5-yl)ethanone 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 1-(2,4-diamino-7,8-dihydro-6H-pteridin-5-yl)ethanone?
The IUPAC name of 1-(2,4-diamino-7,8-dihydro-6H-pteridin-5-yl)ethanone (CID 91824304) is 1-(2,4-diamino-7,8-dihydro-6H-pteridin-5-yl)ethanone.
What is the SMILES notation for 1-(2,4-diamino-7,8-dihydro-6H-pteridin-5-yl)ethanone?
The canonical SMILES for 1-(2,4-diamino-7,8-dihydro-6H-pteridin-5-yl)ethanone is CC(=O)N1CCNc2nc(N)nc(N)c21.
What is the InChIKey of 1-(2,4-diamino-7,8-dihydro-6H-pteridin-5-yl)ethanone?
The InChIKey is UJOCHXSZBWVPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6O/c1-4(15)14-3-2-11-7-5(14)6(9)12-8(10)13-7/h2-3H2,1H3,(H5,9,10,11,12,13).
What are the key properties of 1-(2,4-diamino-7,8-dihydro-6H-pteridin-5-yl)ethanone?
1-(2,4-diamino-7,8-dihydro-6H-pteridin-5-yl)ethanone has a molecular weight of 208.22 g/mol, XLogP of -0.58, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-diamino-7,8-dihydro-6H-pteridin-5-yl)ethanone is sourced from PubChem (CID 91824304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).