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Ethyl 5-amino-8-(2-methyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidine-2-carboxylate

C21H19N5O2 — CID 139508836

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACethyl 5-amino-8-(2-methyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1cn2c(N)nc(-c3ccccc3)c(-c3ccnc(C)c3)c2n1
InChIInChI=1S/C21H19N5O2/c1-3-28-20(27)16-12-26-19(24-16)17(15-9-10-23-13(2)11-15)18(25-21(26)22)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3,(H2,22,25)
InChIKeyTWTIQUFTDKNIRQ-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.53
Rot. Bonds4

About Ethyl 5-amino-8-(2-methyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidine-2-carboxylate

Ethyl 5-amino-8-(2-methyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidine-2-carboxylate (PubChem CID 139508836) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is ethyl 5-amino-8-(2-methyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidine-2-carboxylate.

Molecular Properties

Compound NameEthyl 5-amino-8-(2-methyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidine-2-carboxylate
PubChem CID139508836
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Nameethyl 5-amino-8-(2-methyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1cn2c(N)nc(-c3ccccc3)c(-c3ccnc(C)c3)c2n1
InChIInChI=1S/C21H19N5O2/c1-3-28-20(27)16-12-26-19(24-16)17(15-9-10-23-13(2)11-15)18(25-21(26)22)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3,(H2,22,25)
InChIKeyTWTIQUFTDKNIRQ-UHFFFAOYSA-N
XLogP3.53
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of Ethyl 5-amino-8-(2-methyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidine-2-carboxylate?
The IUPAC name of Ethyl 5-amino-8-(2-methyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidine-2-carboxylate (CID 139508836) is ethyl 5-amino-8-(2-methyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidine-2-carboxylate.
What is the SMILES notation for Ethyl 5-amino-8-(2-methyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidine-2-carboxylate?
The canonical SMILES for Ethyl 5-amino-8-(2-methyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidine-2-carboxylate is CCOC(=O)c1cn2c(N)nc(-c3ccccc3)c(-c3ccnc(C)c3)c2n1.
What is the InChIKey of Ethyl 5-amino-8-(2-methyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidine-2-carboxylate?
The InChIKey is TWTIQUFTDKNIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-3-28-20(27)16-12-26-19(24-16)17(15-9-10-23-13(2)11-15)18(25-21(26)22)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3,(H2,22,25).
What are the key properties of Ethyl 5-amino-8-(2-methyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidine-2-carboxylate?
Ethyl 5-amino-8-(2-methyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidine-2-carboxylate has a molecular weight of 373.42 g/mol, XLogP of 3.53, 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-methyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidine-2-carboxylate is sourced from PubChem (CID 139508836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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