ethyl 7-chloro-5-morpholin-4-ylimidazo[1,2-c]pyrimidine-2-carboxylate

C13H15ClN4O3 — CID 118992766

IUPACethyl 7-chloro-5-morpholin-4-ylimidazo[1,2-c]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1cn2c(N3CCOCC3)nc(Cl)cc2n1
InChIInChI=1S/C13H15ClN4O3/c1-2-21-12(19)9-8-18-11(15-9)7-10(14)16-13(18)17-3-5-20-6-4-17/h7-8H,2-6H2,1H3
InChIKeyAXGFFVLPMAHGLE-UHFFFAOYSA-N
MW310.74 g/mol
LogP1.40
Rot. Bonds3

About ethyl 7-chloro-5-morpholin-4-ylimidazo[1,2-c]pyrimidine-2-carboxylate

ethyl 7-chloro-5-morpholin-4-ylimidazo[1,2-c]pyrimidine-2-carboxylate (PubChem CID 118992766) has the molecular formula C13H15ClN4O3 and a molecular weight of 310.74 g/mol. Its IUPAC name is ethyl 7-chloro-5-morpholin-4-ylimidazo[1,2-c]pyrimidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-chloro-5-morpholin-4-ylimidazo[1,2-c]pyrimidine-2-carboxylate
PubChem CID118992766
Molecular FormulaC13H15ClN4O3
Molecular Weight310.74 g/mol
Exact Mass310.08
IUPAC Nameethyl 7-chloro-5-morpholin-4-ylimidazo[1,2-c]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1cn2c(N3CCOCC3)nc(Cl)cc2n1
InChIInChI=1S/C13H15ClN4O3/c1-2-21-12(19)9-8-18-11(15-9)7-10(14)16-13(18)17-3-5-20-6-4-17/h7-8H,2-6H2,1H3
InChIKeyAXGFFVLPMAHGLE-UHFFFAOYSA-N
XLogP1.40
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-chloro-5-morpholin-4-ylimidazo[1,2-c]pyrimidine-2-carboxylate?
The IUPAC name of ethyl 7-chloro-5-morpholin-4-ylimidazo[1,2-c]pyrimidine-2-carboxylate (CID 118992766) is ethyl 7-chloro-5-morpholin-4-ylimidazo[1,2-c]pyrimidine-2-carboxylate.
What is the SMILES notation for ethyl 7-chloro-5-morpholin-4-ylimidazo[1,2-c]pyrimidine-2-carboxylate?
The canonical SMILES for ethyl 7-chloro-5-morpholin-4-ylimidazo[1,2-c]pyrimidine-2-carboxylate is CCOC(=O)c1cn2c(N3CCOCC3)nc(Cl)cc2n1.
What is the InChIKey of ethyl 7-chloro-5-morpholin-4-ylimidazo[1,2-c]pyrimidine-2-carboxylate?
The InChIKey is AXGFFVLPMAHGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O3/c1-2-21-12(19)9-8-18-11(15-9)7-10(14)16-13(18)17-3-5-20-6-4-17/h7-8H,2-6H2,1H3.
What are the key properties of ethyl 7-chloro-5-morpholin-4-ylimidazo[1,2-c]pyrimidine-2-carboxylate?
ethyl 7-chloro-5-morpholin-4-ylimidazo[1,2-c]pyrimidine-2-carboxylate has a molecular weight of 310.74 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-chloro-5-morpholin-4-ylimidazo[1,2-c]pyrimidine-2-carboxylate is sourced from PubChem (CID 118992766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).