2-(2,6-dihydroxyphenyl)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide

C20H15FN4O3 — CID 71553637

IUPAC2-(2,6-dihydroxyphenyl)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide
SMILESCN(C(=O)c1c(-c2c(O)cccc2O)nc2ncccn12)c1ccc(F)cc1
InChIInChI=1S/C20H15FN4O3/c1-24(13-8-6-12(21)7-9-13)19(28)18-17(16-14(26)4-2-5-15(16)27)23-20-22-10-3-11-25(18)20/h2-11,26-27H,1H3
InChIKeyBITNZVGSPGEYIO-UHFFFAOYSA-N
MW378.36 g/mol
LogP3.22
Rot. Bonds3

About 2-(2,6-dihydroxyphenyl)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide

2-(2,6-dihydroxyphenyl)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide (PubChem CID 71553637) has the molecular formula C20H15FN4O3 and a molecular weight of 378.36 g/mol. Its IUPAC name is 2-(2,6-dihydroxyphenyl)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-(2,6-dihydroxyphenyl)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide
PubChem CID71553637
Molecular FormulaC20H15FN4O3
Molecular Weight378.36 g/mol
Exact Mass378.11
IUPAC Name2-(2,6-dihydroxyphenyl)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide
SMILESCN(C(=O)c1c(-c2c(O)cccc2O)nc2ncccn12)c1ccc(F)cc1
InChIInChI=1S/C20H15FN4O3/c1-24(13-8-6-12(21)7-9-13)19(28)18-17(16-14(26)4-2-5-15(16)27)23-20-22-10-3-11-25(18)20/h2-11,26-27H,1H3
InChIKeyBITNZVGSPGEYIO-UHFFFAOYSA-N
XLogP3.22
TPSA90.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.36
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dihydroxyphenyl)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-(2,6-dihydroxyphenyl)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide (CID 71553637) is 2-(2,6-dihydroxyphenyl)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-(2,6-dihydroxyphenyl)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-(2,6-dihydroxyphenyl)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide is CN(C(=O)c1c(-c2c(O)cccc2O)nc2ncccn12)c1ccc(F)cc1.
What is the InChIKey of 2-(2,6-dihydroxyphenyl)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is BITNZVGSPGEYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O3/c1-24(13-8-6-12(21)7-9-13)19(28)18-17(16-14(26)4-2-5-15(16)27)23-20-22-10-3-11-25(18)20/h2-11,26-27H,1H3.
What are the key properties of 2-(2,6-dihydroxyphenyl)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide?
2-(2,6-dihydroxyphenyl)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 378.36 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dihydroxyphenyl)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 71553637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).