ethyl 1,2,3,4-tetrahydropyrido[4,3-d]pyrimidine-5-carboxylate

C10H13N3O2 — CID 141400249

IUPACethyl 1,2,3,4-tetrahydropyrido[4,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1nccc2c1CNCN2
InChIInChI=1S/C10H13N3O2/c1-2-15-10(14)9-7-5-11-6-13-8(7)3-4-12-9/h3-4,11,13H,2,5-6H2,1H3
InChIKeyJRRHRVPRGSNHLI-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.73
Rot. Bonds2

About ethyl 1,2,3,4-tetrahydropyrido[4,3-d]pyrimidine-5-carboxylate

ethyl 1,2,3,4-tetrahydropyrido[4,3-d]pyrimidine-5-carboxylate (PubChem CID 141400249) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is ethyl 1,2,3,4-tetrahydropyrido[4,3-d]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 1,2,3,4-tetrahydropyrido[4,3-d]pyrimidine-5-carboxylate
PubChem CID141400249
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Nameethyl 1,2,3,4-tetrahydropyrido[4,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1nccc2c1CNCN2
InChIInChI=1S/C10H13N3O2/c1-2-15-10(14)9-7-5-11-6-13-8(7)3-4-12-9/h3-4,11,13H,2,5-6H2,1H3
InChIKeyJRRHRVPRGSNHLI-UHFFFAOYSA-N
XLogP0.73
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1,2,3,4-tetrahydropyrido[4,3-d]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 1,2,3,4-tetrahydropyrido[4,3-d]pyrimidine-5-carboxylate (CID 141400249) is ethyl 1,2,3,4-tetrahydropyrido[4,3-d]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 1,2,3,4-tetrahydropyrido[4,3-d]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 1,2,3,4-tetrahydropyrido[4,3-d]pyrimidine-5-carboxylate is CCOC(=O)c1nccc2c1CNCN2.
What is the InChIKey of ethyl 1,2,3,4-tetrahydropyrido[4,3-d]pyrimidine-5-carboxylate?
The InChIKey is JRRHRVPRGSNHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-2-15-10(14)9-7-5-11-6-13-8(7)3-4-12-9/h3-4,11,13H,2,5-6H2,1H3.
What are the key properties of ethyl 1,2,3,4-tetrahydropyrido[4,3-d]pyrimidine-5-carboxylate?
ethyl 1,2,3,4-tetrahydropyrido[4,3-d]pyrimidine-5-carboxylate has a molecular weight of 207.23 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,2,3,4-tetrahydropyrido[4,3-d]pyrimidine-5-carboxylate is sourced from PubChem (CID 141400249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).