2-amino-6-(1,2-dihydroxypropyl)-7,8-dihydro-3H-pteridin-4-one

C9H13N5O3 — CID 135402011

IUPAC2-amino-6-(1,2-dihydroxypropyl)-7,8-dihydro-3H-pteridin-4-one
SMILESCC(O)C(O)C1=Nc2c(nc(N)[nH]c2=O)NC1
InChIInChI=1S/C9H13N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3,6,15-16H,2H2,1H3,(H4,10,11,13,14,17)
InChIKeyFEMXZDUTFRTWPE-UHFFFAOYSA-N
MW239.24 g/mol
LogP-1.41
Rot. Bonds2

About 2-amino-6-(1,2-dihydroxypropyl)-7,8-dihydro-3H-pteridin-4-one

2-amino-6-(1,2-dihydroxypropyl)-7,8-dihydro-3H-pteridin-4-one (PubChem CID 135402011) has the molecular formula C9H13N5O3 and a molecular weight of 239.24 g/mol. Its IUPAC name is 2-amino-6-(1,2-dihydroxypropyl)-7,8-dihydro-3H-pteridin-4-one.

Molecular Properties

Compound Name2-amino-6-(1,2-dihydroxypropyl)-7,8-dihydro-3H-pteridin-4-one
PubChem CID135402011
Molecular FormulaC9H13N5O3
Molecular Weight239.24 g/mol
Exact Mass239.10
IUPAC Name2-amino-6-(1,2-dihydroxypropyl)-7,8-dihydro-3H-pteridin-4-one
SMILESCC(O)C(O)C1=Nc2c(nc(N)[nH]c2=O)NC1
InChIInChI=1S/C9H13N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3,6,15-16H,2H2,1H3,(H4,10,11,13,14,17)
InChIKeyFEMXZDUTFRTWPE-UHFFFAOYSA-N
XLogP-1.41
TPSA136.62 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 5-1.41
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 2-amino-6-(1,2-dihydroxypropyl)-7,8-dihydro-3H-pteridin-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-6-(1,2-dihydroxypropyl)-7,8-dihydro-3H-pteridin-4-one?
The IUPAC name of 2-amino-6-(1,2-dihydroxypropyl)-7,8-dihydro-3H-pteridin-4-one (CID 135402011) is 2-amino-6-(1,2-dihydroxypropyl)-7,8-dihydro-3H-pteridin-4-one.
What is the SMILES notation for 2-amino-6-(1,2-dihydroxypropyl)-7,8-dihydro-3H-pteridin-4-one?
The canonical SMILES for 2-amino-6-(1,2-dihydroxypropyl)-7,8-dihydro-3H-pteridin-4-one is CC(O)C(O)C1=Nc2c(nc(N)[nH]c2=O)NC1.
What is the InChIKey of 2-amino-6-(1,2-dihydroxypropyl)-7,8-dihydro-3H-pteridin-4-one?
The InChIKey is FEMXZDUTFRTWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3,6,15-16H,2H2,1H3,(H4,10,11,13,14,17).
What are the key properties of 2-amino-6-(1,2-dihydroxypropyl)-7,8-dihydro-3H-pteridin-4-one?
2-amino-6-(1,2-dihydroxypropyl)-7,8-dihydro-3H-pteridin-4-one has a molecular weight of 239.24 g/mol, XLogP of -1.41, 2 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(1,2-dihydroxypropyl)-7,8-dihydro-3H-pteridin-4-one is sourced from PubChem (CID 135402011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).