ethyl 2H-pyrido[1,2-a]pyrimidine-2-carboxylate

C11H12N2O2 — CID 141053128

IUPACethyl 2H-pyrido[1,2-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)C1C=CN2C=CC=CC2=N1
InChIInChI=1S/C11H12N2O2/c1-2-15-11(14)9-6-8-13-7-4-3-5-10(13)12-9/h3-9H,2H2,1H3
InChIKeyMRROJMMTRJZBDQ-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.23
Rot. Bonds2

About ethyl 2H-pyrido[1,2-a]pyrimidine-2-carboxylate

ethyl 2H-pyrido[1,2-a]pyrimidine-2-carboxylate (PubChem CID 141053128) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is ethyl 2H-pyrido[1,2-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 2H-pyrido[1,2-a]pyrimidine-2-carboxylate
PubChem CID141053128
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Nameethyl 2H-pyrido[1,2-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)C1C=CN2C=CC=CC2=N1
InChIInChI=1S/C11H12N2O2/c1-2-15-11(14)9-6-8-13-7-4-3-5-10(13)12-9/h3-9H,2H2,1H3
InChIKeyMRROJMMTRJZBDQ-UHFFFAOYSA-N
XLogP1.23
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 2H-pyrido[1,2-a]pyrimidine-2-carboxylate?
The IUPAC name of ethyl 2H-pyrido[1,2-a]pyrimidine-2-carboxylate (CID 141053128) is ethyl 2H-pyrido[1,2-a]pyrimidine-2-carboxylate.
What is the SMILES notation for ethyl 2H-pyrido[1,2-a]pyrimidine-2-carboxylate?
The canonical SMILES for ethyl 2H-pyrido[1,2-a]pyrimidine-2-carboxylate is CCOC(=O)C1C=CN2C=CC=CC2=N1.
What is the InChIKey of ethyl 2H-pyrido[1,2-a]pyrimidine-2-carboxylate?
The InChIKey is MRROJMMTRJZBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-2-15-11(14)9-6-8-13-7-4-3-5-10(13)12-9/h3-9H,2H2,1H3.
What are the key properties of ethyl 2H-pyrido[1,2-a]pyrimidine-2-carboxylate?
ethyl 2H-pyrido[1,2-a]pyrimidine-2-carboxylate has a molecular weight of 204.23 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2H-pyrido[1,2-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 141053128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).