ethyl 4-ethylpyrido[3,2-d]pyrimidine-2-carboxylate

C12H13N3O2 — CID 155117108

IUPACethyl 4-ethylpyrido[3,2-d]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1nc(CC)c2ncccc2n1
InChIInChI=1S/C12H13N3O2/c1-3-8-10-9(6-5-7-13-10)15-11(14-8)12(16)17-4-2/h5-7H,3-4H2,1-2H3
InChIKeyZHEJXHARLCFZLB-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.76
Rot. Bonds3

About ethyl 4-ethylpyrido[3,2-d]pyrimidine-2-carboxylate

ethyl 4-ethylpyrido[3,2-d]pyrimidine-2-carboxylate (PubChem CID 155117108) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is ethyl 4-ethylpyrido[3,2-d]pyrimidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-ethylpyrido[3,2-d]pyrimidine-2-carboxylate
PubChem CID155117108
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Nameethyl 4-ethylpyrido[3,2-d]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1nc(CC)c2ncccc2n1
InChIInChI=1S/C12H13N3O2/c1-3-8-10-9(6-5-7-13-10)15-11(14-8)12(16)17-4-2/h5-7H,3-4H2,1-2H3
InChIKeyZHEJXHARLCFZLB-UHFFFAOYSA-N
XLogP1.76
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethylpyrido[3,2-d]pyrimidine-2-carboxylate?
The IUPAC name of ethyl 4-ethylpyrido[3,2-d]pyrimidine-2-carboxylate (CID 155117108) is ethyl 4-ethylpyrido[3,2-d]pyrimidine-2-carboxylate.
What is the SMILES notation for ethyl 4-ethylpyrido[3,2-d]pyrimidine-2-carboxylate?
The canonical SMILES for ethyl 4-ethylpyrido[3,2-d]pyrimidine-2-carboxylate is CCOC(=O)c1nc(CC)c2ncccc2n1.
What is the InChIKey of ethyl 4-ethylpyrido[3,2-d]pyrimidine-2-carboxylate?
The InChIKey is ZHEJXHARLCFZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-3-8-10-9(6-5-7-13-10)15-11(14-8)12(16)17-4-2/h5-7H,3-4H2,1-2H3.
What are the key properties of ethyl 4-ethylpyrido[3,2-d]pyrimidine-2-carboxylate?
ethyl 4-ethylpyrido[3,2-d]pyrimidine-2-carboxylate has a molecular weight of 231.25 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethylpyrido[3,2-d]pyrimidine-2-carboxylate is sourced from PubChem (CID 155117108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).