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

C9H11N5O3 — CID 135433595

IUPAC2-amino-6-(2-hydroxypropanoyl)-7,8-dihydro-3H-pteridin-4-one
SMILESCC(O)C(=O)C1=Nc2c(nc(N)[nH]c2=O)NC1
InChIInChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3,15H,2H2,1H3,(H4,10,11,13,14,17)
InChIKeyVPVOXUSPXFPWBN-UHFFFAOYSA-N
MW237.22 g/mol
LogP-1.20
Rot. Bonds2

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

2-amino-6-(2-hydroxypropanoyl)-7,8-dihydro-3H-pteridin-4-one (PubChem CID 135433595) has the molecular formula C9H11N5O3 and a molecular weight of 237.22 g/mol. Its IUPAC name is 2-amino-6-(2-hydroxypropanoyl)-7,8-dihydro-3H-pteridin-4-one.

Molecular Properties

Compound Name2-amino-6-(2-hydroxypropanoyl)-7,8-dihydro-3H-pteridin-4-one
PubChem CID135433595
Molecular FormulaC9H11N5O3
Molecular Weight237.22 g/mol
Exact Mass237.09
IUPAC Name2-amino-6-(2-hydroxypropanoyl)-7,8-dihydro-3H-pteridin-4-one
SMILESCC(O)C(=O)C1=Nc2c(nc(N)[nH]c2=O)NC1
InChIInChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3,15H,2H2,1H3,(H4,10,11,13,14,17)
InChIKeyVPVOXUSPXFPWBN-UHFFFAOYSA-N
XLogP-1.20
TPSA133.46 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 5-1.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-hydroxypropanoyl)-7,8-dihydro-3H-pteridin-4-one?
The IUPAC name of 2-amino-6-(2-hydroxypropanoyl)-7,8-dihydro-3H-pteridin-4-one (CID 135433595) is 2-amino-6-(2-hydroxypropanoyl)-7,8-dihydro-3H-pteridin-4-one.
What is the SMILES notation for 2-amino-6-(2-hydroxypropanoyl)-7,8-dihydro-3H-pteridin-4-one?
The canonical SMILES for 2-amino-6-(2-hydroxypropanoyl)-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-(2-hydroxypropanoyl)-7,8-dihydro-3H-pteridin-4-one?
The InChIKey is VPVOXUSPXFPWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3,15H,2H2,1H3,(H4,10,11,13,14,17).
What are the key properties of 2-amino-6-(2-hydroxypropanoyl)-7,8-dihydro-3H-pteridin-4-one?
2-amino-6-(2-hydroxypropanoyl)-7,8-dihydro-3H-pteridin-4-one has a molecular weight of 237.22 g/mol, XLogP of -1.20, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-hydroxypropanoyl)-7,8-dihydro-3H-pteridin-4-one is sourced from PubChem (CID 135433595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).