2-amino-4,7-dioxo-3,8-dihydropteridine-6-carboxylic acid

C7H5N5O4 — CID 135408140

IUPAC2-amino-4,7-dioxo-3,8-dihydropteridine-6-carboxylic acid
SMILESNc1nc2[nH]c(=O)c(C(=O)O)nc2c(=O)[nH]1
InChIInChI=1S/C7H5N5O4/c8-7-11-3-1(4(13)12-7)9-2(6(15)16)5(14)10-3/h(H,15,16)(H4,8,10,11,12,13,14)
InChIKeyWFICTSPBINOLJT-UHFFFAOYSA-N
MW223.15 g/mol
LogP-1.71
Rot. Bonds1

About 2-amino-4,7-dioxo-3,8-dihydropteridine-6-carboxylic acid

2-amino-4,7-dioxo-3,8-dihydropteridine-6-carboxylic acid (PubChem CID 135408140) has the molecular formula C7H5N5O4 and a molecular weight of 223.15 g/mol. Its IUPAC name is 2-amino-4,7-dioxo-3,8-dihydropteridine-6-carboxylic acid.

Molecular Properties

Compound Name2-amino-4,7-dioxo-3,8-dihydropteridine-6-carboxylic acid
PubChem CID135408140
Molecular FormulaC7H5N5O4
Molecular Weight223.15 g/mol
Exact Mass223.03
IUPAC Name2-amino-4,7-dioxo-3,8-dihydropteridine-6-carboxylic acid
SMILESNc1nc2[nH]c(=O)c(C(=O)O)nc2c(=O)[nH]1
InChIInChI=1S/C7H5N5O4/c8-7-11-3-1(4(13)12-7)9-2(6(15)16)5(14)10-3/h(H,15,16)(H4,8,10,11,12,13,14)
InChIKeyWFICTSPBINOLJT-UHFFFAOYSA-N
XLogP-1.71
TPSA154.82 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.15
LogP ≤ 5-1.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-8-ethyl-4,7-dioxo-3H-pteridine-6-carboxylic acid
CID 135436104
2,4,6-trioxo-1,5-dihydropteridine-7-carboxylic acid
CID 23422188
8-amino-1,7-dihydropyrimido[5,4-g]pteridine-2,4,6-trione
CID 135414250
2-amino-8-deuterio-1,9-dihydropurin-6-one
CID 136912024
1,3-dimethyl-2,4,7-trioxo-8H-pteridine-6-carboxylic acid
CID 822327
2,4-diamino-1H-imidazole-5-carboxylic acid
CID 67941525
1-methyl-2,4,6-trioxo-5H-pteridine-7-carboxylic acid
CID 23422189
2-amino-5-cycloheptyl-1H-imidazole-4-carboxylic acid
CID 105480565
4-[3-(2-amino-4-oxo-3H-pteridin-6-yl)propylamino]benzoic acid
CID 135481227
4-[3-(2-amino-6-oxo-1H-purin-9-yl)propanoylamino]benzoic acid
CID 135515441
4-aminobenzoic acid;2-amino-6-methyl-3H-pteridin-4-one
CID 157066962
4-[(2-amino-5-methyl-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-6-yl)sulfanyl]benzoic acid
CID 135468024

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,7-dioxo-3,8-dihydropteridine-6-carboxylic acid?
The IUPAC name of 2-amino-4,7-dioxo-3,8-dihydropteridine-6-carboxylic acid (CID 135408140) is 2-amino-4,7-dioxo-3,8-dihydropteridine-6-carboxylic acid.
What is the SMILES notation for 2-amino-4,7-dioxo-3,8-dihydropteridine-6-carboxylic acid?
The canonical SMILES for 2-amino-4,7-dioxo-3,8-dihydropteridine-6-carboxylic acid is Nc1nc2[nH]c(=O)c(C(=O)O)nc2c(=O)[nH]1.
What is the InChIKey of 2-amino-4,7-dioxo-3,8-dihydropteridine-6-carboxylic acid?
The InChIKey is WFICTSPBINOLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N5O4/c8-7-11-3-1(4(13)12-7)9-2(6(15)16)5(14)10-3/h(H,15,16)(H4,8,10,11,12,13,14).
What are the key properties of 2-amino-4,7-dioxo-3,8-dihydropteridine-6-carboxylic acid?
2-amino-4,7-dioxo-3,8-dihydropteridine-6-carboxylic acid has a molecular weight of 223.15 g/mol, XLogP of -1.71, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,7-dioxo-3,8-dihydropteridine-6-carboxylic acid is sourced from PubChem (CID 135408140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).