N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,2-dimethylpropanamide

C17H18N4O — CID 20868681

IUPACN-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(-c2cn3cccnc3n2)cc1
InChIInChI=1S/C17H18N4O/c1-17(2,3)15(22)19-13-7-5-12(6-8-13)14-11-21-10-4-9-18-16(21)20-14/h4-11H,1-3H3,(H,19,22)
InChIKeyDZOUFLUGHFQRHP-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.38
Rot. Bonds2

About N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,2-dimethylpropanamide

N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,2-dimethylpropanamide (PubChem CID 20868681) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,2-dimethylpropanamide
PubChem CID20868681
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC NameN-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(-c2cn3cccnc3n2)cc1
InChIInChI=1S/C17H18N4O/c1-17(2,3)15(22)19-13-7-5-12(6-8-13)14-11-21-10-4-9-18-16(21)20-14/h4-11H,1-3H3,(H,19,22)
InChIKeyDZOUFLUGHFQRHP-UHFFFAOYSA-N
XLogP3.38
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,2-dimethylpropanamide (CID 20868681) is N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ccc(-c2cn3cccnc3n2)cc1.
What is the InChIKey of N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,2-dimethylpropanamide?
The InChIKey is DZOUFLUGHFQRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-17(2,3)15(22)19-13-7-5-12(6-8-13)14-11-21-10-4-9-18-16(21)20-14/h4-11H,1-3H3,(H,19,22).
What are the key properties of N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,2-dimethylpropanamide?
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,2-dimethylpropanamide has a molecular weight of 294.36 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 20868681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).