ethyl 2H-pteridine-1-carboxylate

C9H10N4O2 — CID 171384651

IUPACethyl 2H-pteridine-1-carboxylate
SMILESCCOC(=O)N1CN=Cc2nccnc21
InChIInChI=1S/C9H10N4O2/c1-2-15-9(14)13-6-10-5-7-8(13)12-4-3-11-7/h3-5H,2,6H2,1H3
InChIKeyGZHBQIGKUGQNDR-UHFFFAOYSA-N
MW206.21 g/mol
LogP0.83
Rot. Bonds1

About ethyl 2H-pteridine-1-carboxylate

ethyl 2H-pteridine-1-carboxylate (PubChem CID 171384651) has the molecular formula C9H10N4O2 and a molecular weight of 206.21 g/mol. Its IUPAC name is ethyl 2H-pteridine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2H-pteridine-1-carboxylate
PubChem CID171384651
Molecular FormulaC9H10N4O2
Molecular Weight206.21 g/mol
Exact Mass206.08
IUPAC Nameethyl 2H-pteridine-1-carboxylate
SMILESCCOC(=O)N1CN=Cc2nccnc21
InChIInChI=1S/C9H10N4O2/c1-2-15-9(14)13-6-10-5-7-8(13)12-4-3-11-7/h3-5H,2,6H2,1H3
InChIKeyGZHBQIGKUGQNDR-UHFFFAOYSA-N
XLogP0.83
TPSA67.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2H-pteridine-1-carboxylate?
The IUPAC name of ethyl 2H-pteridine-1-carboxylate (CID 171384651) is ethyl 2H-pteridine-1-carboxylate.
What is the SMILES notation for ethyl 2H-pteridine-1-carboxylate?
The canonical SMILES for ethyl 2H-pteridine-1-carboxylate is CCOC(=O)N1CN=Cc2nccnc21.
What is the InChIKey of ethyl 2H-pteridine-1-carboxylate?
The InChIKey is GZHBQIGKUGQNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-2-15-9(14)13-6-10-5-7-8(13)12-4-3-11-7/h3-5H,2,6H2,1H3.
What are the key properties of ethyl 2H-pteridine-1-carboxylate?
ethyl 2H-pteridine-1-carboxylate has a molecular weight of 206.21 g/mol, XLogP of 0.83, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2H-pteridine-1-carboxylate is sourced from PubChem (CID 171384651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).