ethyl 5-amino-8-(2,6-dimethyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidine-2-carboxylate

C22H21N5O2 — CID 153338422

IUPACethyl 5-amino-8-(2,6-dimethyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1cn2c(N)nc(-c3ccccc3)c(-c3cc(C)nc(C)c3)c2n1
InChIInChI=1S/C22H21N5O2/c1-4-29-21(28)17-12-27-20(25-17)18(16-10-13(2)24-14(3)11-16)19(26-22(27)23)15-8-6-5-7-9-15/h5-12H,4H2,1-3H3,(H2,23,26)
InChIKeyOWBUXOFBMDQYLY-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.83
Rot. Bonds4

About ethyl 5-amino-8-(2,6-dimethyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidine-2-carboxylate

ethyl 5-amino-8-(2,6-dimethyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidine-2-carboxylate (PubChem CID 153338422) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is ethyl 5-amino-8-(2,6-dimethyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-8-(2,6-dimethyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidine-2-carboxylate
PubChem CID153338422
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Nameethyl 5-amino-8-(2,6-dimethyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1cn2c(N)nc(-c3ccccc3)c(-c3cc(C)nc(C)c3)c2n1
InChIInChI=1S/C22H21N5O2/c1-4-29-21(28)17-12-27-20(25-17)18(16-10-13(2)24-14(3)11-16)19(26-22(27)23)15-8-6-5-7-9-15/h5-12H,4H2,1-3H3,(H2,23,26)
InChIKeyOWBUXOFBMDQYLY-UHFFFAOYSA-N
XLogP3.83
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 8-bromo-5-methylsulfanyl-7-phenylimidazo[1,2-c]pyrimidine-2-carboxylate
CID 139508768
ethyl N-[2-[5-amino-8-(2,6-dimethyl-4-pyridinyl)-3-oxo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl]ethyl]carbamate
CID 156864062
ethyl 3-bromo-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 12511238
ethyl 5-phenylimidazo[1,2-a]pyrimidine-2-carboxylate
CID 103200747
methyl 5-(5-amino-7-phenyl-8-pyridin-4-ylimidazo[1,2-c]pyrimidin-2-yl)-1,2-oxazole-3-carboxylate
CID 139508749
benzyl 5-aminoimidazo[1,2-c]quinazoline-2-carboxylate
CID 138721164
ethyl 6,8-dimethyl-2-phenylimidazo[1,2-a]pyrazine-3-carboxylate
CID 137355753
methyl 4-[2-[5-amino-8-(2,6-dimethyl-4-pyridinyl)-3-oxo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl]ethyl]benzoate
CID 156863985
CID 70300240
CID 70300240
ethyl 8-bromo-5-chloro-6-(3-fluorophenyl)imidazo[1,2-a]pyrazine-2-carboxylate
CID 137372681
8-(2-methyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidin-5-amine;2,2,2-trifluoroacetic acid
CID 139508781
ethyl 8-bromoimidazo[1,2-a]pyridine-2-carboxylate
CID 57360969

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-8-(2,6-dimethyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidine-2-carboxylate?
The IUPAC name of ethyl 5-amino-8-(2,6-dimethyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidine-2-carboxylate (CID 153338422) is ethyl 5-amino-8-(2,6-dimethyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidine-2-carboxylate.
What is the SMILES notation for ethyl 5-amino-8-(2,6-dimethyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidine-2-carboxylate?
The canonical SMILES for ethyl 5-amino-8-(2,6-dimethyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidine-2-carboxylate is CCOC(=O)c1cn2c(N)nc(-c3ccccc3)c(-c3cc(C)nc(C)c3)c2n1.
What is the InChIKey of ethyl 5-amino-8-(2,6-dimethyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidine-2-carboxylate?
The InChIKey is OWBUXOFBMDQYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-4-29-21(28)17-12-27-20(25-17)18(16-10-13(2)24-14(3)11-16)19(26-22(27)23)15-8-6-5-7-9-15/h5-12H,4H2,1-3H3,(H2,23,26).
What are the key properties of ethyl 5-amino-8-(2,6-dimethyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidine-2-carboxylate?
ethyl 5-amino-8-(2,6-dimethyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidine-2-carboxylate has a molecular weight of 387.44 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-8-(2,6-dimethyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidine-2-carboxylate is sourced from PubChem (CID 153338422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).