ethyl 1,2,3,4-tetrahydropteridine-2-carboxylate

C9H12N4O2 — CID 171384808

IUPACethyl 1,2,3,4-tetrahydropteridine-2-carboxylate
SMILESCCOC(=O)C1NCc2nccnc2N1
InChIInChI=1S/C9H12N4O2/c1-2-15-9(14)8-12-5-6-7(13-8)11-4-3-10-6/h3-4,8,12H,2,5H2,1H3,(H,11,13)
InChIKeyDFCIJMAFVWIOHL-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.12
Rot. Bonds2

About ethyl 1,2,3,4-tetrahydropteridine-2-carboxylate

ethyl 1,2,3,4-tetrahydropteridine-2-carboxylate (PubChem CID 171384808) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is ethyl 1,2,3,4-tetrahydropteridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1,2,3,4-tetrahydropteridine-2-carboxylate
PubChem CID171384808
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Nameethyl 1,2,3,4-tetrahydropteridine-2-carboxylate
SMILESCCOC(=O)C1NCc2nccnc2N1
InChIInChI=1S/C9H12N4O2/c1-2-15-9(14)8-12-5-6-7(13-8)11-4-3-10-6/h3-4,8,12H,2,5H2,1H3,(H,11,13)
InChIKeyDFCIJMAFVWIOHL-UHFFFAOYSA-N
XLogP-0.12
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1,2,3,4-tetrahydropteridine-2-carboxylate?
The IUPAC name of ethyl 1,2,3,4-tetrahydropteridine-2-carboxylate (CID 171384808) is ethyl 1,2,3,4-tetrahydropteridine-2-carboxylate.
What is the SMILES notation for ethyl 1,2,3,4-tetrahydropteridine-2-carboxylate?
The canonical SMILES for ethyl 1,2,3,4-tetrahydropteridine-2-carboxylate is CCOC(=O)C1NCc2nccnc2N1.
What is the InChIKey of ethyl 1,2,3,4-tetrahydropteridine-2-carboxylate?
The InChIKey is DFCIJMAFVWIOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-2-15-9(14)8-12-5-6-7(13-8)11-4-3-10-6/h3-4,8,12H,2,5H2,1H3,(H,11,13).
What are the key properties of ethyl 1,2,3,4-tetrahydropteridine-2-carboxylate?
ethyl 1,2,3,4-tetrahydropteridine-2-carboxylate has a molecular weight of 208.22 g/mol, XLogP of -0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,2,3,4-tetrahydropteridine-2-carboxylate is sourced from PubChem (CID 171384808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).