2-[2-(dimethylamino)-2-oxoethoxy]-N-(4-fluorophenyl)pyrimidine-5-carboxamide

C15H15FN4O3 — CID 91398668

IUPAC2-[2-(dimethylamino)-2-oxoethoxy]-N-(4-fluorophenyl)pyrimidine-5-carboxamide
SMILESCN(C)C(=O)COc1ncc(C(=O)Nc2ccc(F)cc2)cn1
InChIInChI=1S/C15H15FN4O3/c1-20(2)13(21)9-23-15-17-7-10(8-18-15)14(22)19-12-5-3-11(16)4-6-12/h3-8H,9H2,1-2H3,(H,19,22)
InChIKeyZIYWJCIUIXJBLM-UHFFFAOYSA-N
MW318.31 g/mol
LogP1.34
Rot. Bonds5

About 2-[2-(dimethylamino)-2-oxoethoxy]-N-(4-fluorophenyl)pyrimidine-5-carboxamide

2-[2-(dimethylamino)-2-oxoethoxy]-N-(4-fluorophenyl)pyrimidine-5-carboxamide (PubChem CID 91398668) has the molecular formula C15H15FN4O3 and a molecular weight of 318.31 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-2-oxoethoxy]-N-(4-fluorophenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)-2-oxoethoxy]-N-(4-fluorophenyl)pyrimidine-5-carboxamide
PubChem CID91398668
Molecular FormulaC15H15FN4O3
Molecular Weight318.31 g/mol
Exact Mass318.11
IUPAC Name2-[2-(dimethylamino)-2-oxoethoxy]-N-(4-fluorophenyl)pyrimidine-5-carboxamide
SMILESCN(C)C(=O)COc1ncc(C(=O)Nc2ccc(F)cc2)cn1
InChIInChI=1S/C15H15FN4O3/c1-20(2)13(21)9-23-15-17-7-10(8-18-15)14(22)19-12-5-3-11(16)4-6-12/h3-8H,9H2,1-2H3,(H,19,22)
InChIKeyZIYWJCIUIXJBLM-UHFFFAOYSA-N
XLogP1.34
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.31
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-2-[2-[methoxy(methyl)amino]-2-oxoethoxy]pyrimidine-5-carboxamide
CID 90948178
N-(4-fluorophenyl)-2-[2-(N-methylanilino)-2-oxoethoxy]pyrimidine-5-carboxamide
CID 86760390
N-(4-fluorophenyl)-2-methylsulfinylpyrimidine-5-carboxamide
CID 86760384
N-(4-fluorophenyl)-2-(propylamino)pyrimidine-5-carboxamide
CID 109246780
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-methoxybenzamide
CID 32943268
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-(4-fluorophenoxy)butanamide
CID 32945767
N-[4-(dimethylamino)phenyl]-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109156661
2-[(3,4-dimethoxyphenyl)methylamino]-N-(4-fluorophenyl)pyrimidine-5-carboxamide
CID 109261551
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-propan-2-ylbenzamide
CID 32943301
2-[[5-(4-chlorophenyl)-2-methylfuran-3-yl]methoxy]-N-(4-fluorophenyl)pyrimidine-5-carboxamide
CID 86760385
ethyl 4-[[6-[(4-fluorophenyl)methylamino]pyridine-3-carbonyl]amino]benzoate
CID 109156667
N-(2-ethoxypyrimidin-5-yl)-4-methylbenzamide
CID 122301767

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-2-oxoethoxy]-N-(4-fluorophenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-[2-(dimethylamino)-2-oxoethoxy]-N-(4-fluorophenyl)pyrimidine-5-carboxamide (CID 91398668) is 2-[2-(dimethylamino)-2-oxoethoxy]-N-(4-fluorophenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[2-(dimethylamino)-2-oxoethoxy]-N-(4-fluorophenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[2-(dimethylamino)-2-oxoethoxy]-N-(4-fluorophenyl)pyrimidine-5-carboxamide is CN(C)C(=O)COc1ncc(C(=O)Nc2ccc(F)cc2)cn1.
What is the InChIKey of 2-[2-(dimethylamino)-2-oxoethoxy]-N-(4-fluorophenyl)pyrimidine-5-carboxamide?
The InChIKey is ZIYWJCIUIXJBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O3/c1-20(2)13(21)9-23-15-17-7-10(8-18-15)14(22)19-12-5-3-11(16)4-6-12/h3-8H,9H2,1-2H3,(H,19,22).
What are the key properties of 2-[2-(dimethylamino)-2-oxoethoxy]-N-(4-fluorophenyl)pyrimidine-5-carboxamide?
2-[2-(dimethylamino)-2-oxoethoxy]-N-(4-fluorophenyl)pyrimidine-5-carboxamide has a molecular weight of 318.31 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-2-oxoethoxy]-N-(4-fluorophenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 91398668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).