2-ethyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]butanamide

C19H22N4O — CID 7080305

IUPAC2-ethyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]butanamide
SMILESCCC(CC)C(=O)Nc1cccc(-c2nc3ncccn3c2C)c1
InChIInChI=1S/C19H22N4O/c1-4-14(5-2)18(24)21-16-9-6-8-15(12-16)17-13(3)23-11-7-10-20-19(23)22-17/h6-12,14H,4-5H2,1-3H3,(H,21,24)
InChIKeyKFRCSJQWUIDIHH-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.08
Rot. Bonds5

About 2-ethyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]butanamide

2-ethyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]butanamide (PubChem CID 7080305) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-ethyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]butanamide
PubChem CID7080305
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name2-ethyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]butanamide
SMILESCCC(CC)C(=O)Nc1cccc(-c2nc3ncccn3c2C)c1
InChIInChI=1S/C19H22N4O/c1-4-14(5-2)18(24)21-16-9-6-8-15(12-16)17-13(3)23-11-7-10-20-19(23)22-17/h6-12,14H,4-5H2,1-3H3,(H,21,24)
InChIKeyKFRCSJQWUIDIHH-UHFFFAOYSA-N
XLogP4.08
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]butanamide?
The IUPAC name of 2-ethyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]butanamide (CID 7080305) is 2-ethyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]butanamide?
The canonical SMILES for 2-ethyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]butanamide is CCC(CC)C(=O)Nc1cccc(-c2nc3ncccn3c2C)c1.
What is the InChIKey of 2-ethyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]butanamide?
The InChIKey is KFRCSJQWUIDIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-4-14(5-2)18(24)21-16-9-6-8-15(12-16)17-13(3)23-11-7-10-20-19(23)22-17/h6-12,14H,4-5H2,1-3H3,(H,21,24).
What are the key properties of 2-ethyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]butanamide?
2-ethyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]butanamide has a molecular weight of 322.41 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]butanamide is sourced from PubChem (CID 7080305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).