2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide

C20H24FN5O — CID 9465114

IUPAC2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)Cc1cn2c(C)cc(C)nc2n1
InChIInChI=1S/C20H24FN5O/c1-4-25(13-19(27)22-10-16-5-7-17(21)8-6-16)11-18-12-26-15(3)9-14(2)23-20(26)24-18/h5-9,12H,4,10-11,13H2,1-3H3,(H,22,27)
InChIKeyPIPWXGHVZYLGGC-UHFFFAOYSA-N
MW369.44 g/mol
LogP2.62
Rot. Bonds7

About 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide

2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 9465114) has the molecular formula C20H24FN5O and a molecular weight of 369.44 g/mol. Its IUPAC name is 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID9465114
Molecular FormulaC20H24FN5O
Molecular Weight369.44 g/mol
Exact Mass369.20
IUPAC Name2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)Cc1cn2c(C)cc(C)nc2n1
InChIInChI=1S/C20H24FN5O/c1-4-25(13-19(27)22-10-16-5-7-17(21)8-6-16)11-18-12-26-15(3)9-14(2)23-20(26)24-18/h5-9,12H,4,10-11,13H2,1-3H3,(H,22,27)
InChIKeyPIPWXGHVZYLGGC-UHFFFAOYSA-N
XLogP2.62
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide (CID 9465114) is 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide is CCN(CC(=O)NCc1ccc(F)cc1)Cc1cn2c(C)cc(C)nc2n1.
What is the InChIKey of 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is PIPWXGHVZYLGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O/c1-4-25(13-19(27)22-10-16-5-7-17(21)8-6-16)11-18-12-26-15(3)9-14(2)23-20(26)24-18/h5-9,12H,4,10-11,13H2,1-3H3,(H,22,27).
What are the key properties of 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide?
2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 369.44 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 9465114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).