ethyl 2-phenylimidazo[1,2-c]pyrimidine-3-carboxylate

C15H13N3O2 — CID 137355302

IUPACethyl 2-phenylimidazo[1,2-c]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)nc2ccncn12
InChIInChI=1S/C15H13N3O2/c1-2-20-15(19)14-13(11-6-4-3-5-7-11)17-12-8-9-16-10-18(12)14/h3-10H,2H2,1H3
InChIKeyLLEQYDBKCTXDSW-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.57
Rot. Bonds3

About ethyl 2-phenylimidazo[1,2-c]pyrimidine-3-carboxylate

ethyl 2-phenylimidazo[1,2-c]pyrimidine-3-carboxylate (PubChem CID 137355302) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is ethyl 2-phenylimidazo[1,2-c]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-phenylimidazo[1,2-c]pyrimidine-3-carboxylate
PubChem CID137355302
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Nameethyl 2-phenylimidazo[1,2-c]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)nc2ccncn12
InChIInChI=1S/C15H13N3O2/c1-2-20-15(19)14-13(11-6-4-3-5-7-11)17-12-8-9-16-10-18(12)14/h3-10H,2H2,1H3
InChIKeyLLEQYDBKCTXDSW-UHFFFAOYSA-N
XLogP2.57
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-phenylimidazo[1,2-b]pyridazine-3-carboxylate
CID 14743338
ethyl 2-(4-hydroxyphenyl)imidazo[1,2-a]pyridine-3-carboxylate
CID 21280357
ethyl 6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylate
CID 10802132
ethyl 6-methoxy-2-phenylimidazo[1,2-b]pyridazine-3-carboxylate
CID 14743340
ethyl 6,8-dimethyl-2-phenylimidazo[1,2-a]pyrazine-3-carboxylate
CID 137355753
ethyl 3-bromoimidazo[1,2-c]pyrimidine-2-carboxylate
CID 90411244
ethyl 4-[(2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)carbamoylamino]benzoate
CID 50847843
ethyl 4-oxo-2-phenyl-3-(trifluoromethyl)pyrido[1,2-a]pyrimidine-7-carboxylate
CID 172561000
ethyl 3-[(2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)carbamoylamino]benzoate
CID 50847842
ethyl 1-methyl-3-phenylpyrazole-4-carboxylate
CID 14003898
ethyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate;hydrochloride
CID 52988808
ethyl 2-(2-methoxyphenyl)imidazo[1,2-a]pyridine-3-carboxylate
CID 10108596

Frequently Asked Questions

What is the IUPAC name of ethyl 2-phenylimidazo[1,2-c]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 2-phenylimidazo[1,2-c]pyrimidine-3-carboxylate (CID 137355302) is ethyl 2-phenylimidazo[1,2-c]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 2-phenylimidazo[1,2-c]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 2-phenylimidazo[1,2-c]pyrimidine-3-carboxylate is CCOC(=O)c1c(-c2ccccc2)nc2ccncn12.
What is the InChIKey of ethyl 2-phenylimidazo[1,2-c]pyrimidine-3-carboxylate?
The InChIKey is LLEQYDBKCTXDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-2-20-15(19)14-13(11-6-4-3-5-7-11)17-12-8-9-16-10-18(12)14/h3-10H,2H2,1H3.
What are the key properties of ethyl 2-phenylimidazo[1,2-c]pyrimidine-3-carboxylate?
ethyl 2-phenylimidazo[1,2-c]pyrimidine-3-carboxylate has a molecular weight of 267.29 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-phenylimidazo[1,2-c]pyrimidine-3-carboxylate is sourced from PubChem (CID 137355302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).