ethyl 7-oxo-8H-pteridine-6-carboxylate

C9H8N4O3 — CID 125448912

IUPACethyl 7-oxo-8H-pteridine-6-carboxylate
SMILESCCOC(=O)c1nc2cncnc2[nH]c1=O
InChIInChI=1S/C9H8N4O3/c1-2-16-9(15)6-8(14)13-7-5(12-6)3-10-4-11-7/h3-4H,2H2,1H3,(H,10,11,13,14)
InChIKeyBKCIUNXQYXUSJY-UHFFFAOYSA-N
MW220.19 g/mol
LogP-0.11
Rot. Bonds2

About ethyl 7-oxo-8H-pteridine-6-carboxylate

ethyl 7-oxo-8H-pteridine-6-carboxylate (PubChem CID 125448912) has the molecular formula C9H8N4O3 and a molecular weight of 220.19 g/mol. Its IUPAC name is ethyl 7-oxo-8H-pteridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 7-oxo-8H-pteridine-6-carboxylate
PubChem CID125448912
Molecular FormulaC9H8N4O3
Molecular Weight220.19 g/mol
Exact Mass220.06
IUPAC Nameethyl 7-oxo-8H-pteridine-6-carboxylate
SMILESCCOC(=O)c1nc2cncnc2[nH]c1=O
InChIInChI=1S/C9H8N4O3/c1-2-16-9(15)6-8(14)13-7-5(12-6)3-10-4-11-7/h3-4H,2H2,1H3,(H,10,11,13,14)
InChIKeyBKCIUNXQYXUSJY-UHFFFAOYSA-N
XLogP-0.11
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

diethyl pyrimidine-4,5-dicarboxylate
CID 13000769
ethyl 3-oxo-4H-furo[2,3-b]pyrazine-2-carboxylate
CID 69219546
ethyl 7-methyl-3-oxo-4H-quinoxaline-2-carboxylate
CID 18008890
ethyl 7-bromo-3-oxo-4H-quinoxaline-2-carboxylate
CID 18369213
ethyl 6-methyl-3-oxo-4H-quinoxaline-2-carboxylate;ethyl 7-methyl-3-oxo-4H-quinoxaline-2-carboxylate
CID 123754273
ethyl 2-methyl-6-oxo-1H-pyrazine-3-carboxylate
CID 130116351
ethyl 3-oxo-7-(trifluoromethyl)-4H-quinoxaline-2-carboxylate
CID 10062508
ethyl 4-(7H-pyrrolo[2,3-d]pyrimidin-6-yl)benzoate
CID 140987862
ethyl 1,3,5-triazine-2-carboxylate
CID 23260906
ethyl 7-bromo-6-nitro-3-oxo-4H-quinoxaline-2-carboxylate
CID 18369157
ethyl 5-hydroxy-2-methyl-6-oxo-1H-pyrimidine-4-carboxylate
CID 136655437
ethyl 9H-pyrimido[4,5-b]indole-5-carboxylate
CID 175816766

Frequently Asked Questions

What is the IUPAC name of ethyl 7-oxo-8H-pteridine-6-carboxylate?
The IUPAC name of ethyl 7-oxo-8H-pteridine-6-carboxylate (CID 125448912) is ethyl 7-oxo-8H-pteridine-6-carboxylate.
What is the SMILES notation for ethyl 7-oxo-8H-pteridine-6-carboxylate?
The canonical SMILES for ethyl 7-oxo-8H-pteridine-6-carboxylate is CCOC(=O)c1nc2cncnc2[nH]c1=O.
What is the InChIKey of ethyl 7-oxo-8H-pteridine-6-carboxylate?
The InChIKey is BKCIUNXQYXUSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O3/c1-2-16-9(15)6-8(14)13-7-5(12-6)3-10-4-11-7/h3-4H,2H2,1H3,(H,10,11,13,14).
What are the key properties of ethyl 7-oxo-8H-pteridine-6-carboxylate?
ethyl 7-oxo-8H-pteridine-6-carboxylate has a molecular weight of 220.19 g/mol, XLogP of -0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-oxo-8H-pteridine-6-carboxylate is sourced from PubChem (CID 125448912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).