N-(4-fluorophenyl)-2-[2-[methoxy(methyl)amino]-2-oxoethoxy]pyrimidine-5-carboxamide

C15H15FN4O4 — CID 90948178

IUPACN-(4-fluorophenyl)-2-[2-[methoxy(methyl)amino]-2-oxoethoxy]pyrimidine-5-carboxamide
SMILESCON(C)C(=O)COc1ncc(C(=O)Nc2ccc(F)cc2)cn1
InChIInChI=1S/C15H15FN4O4/c1-20(23-2)13(21)9-24-15-17-7-10(8-18-15)14(22)19-12-5-3-11(16)4-6-12/h3-8H,9H2,1-2H3,(H,19,22)
InChIKeySRKQAOHSLIFNTD-UHFFFAOYSA-N
MW334.31 g/mol
LogP1.27
Rot. Bonds6

About N-(4-fluorophenyl)-2-[2-[methoxy(methyl)amino]-2-oxoethoxy]pyrimidine-5-carboxamide

N-(4-fluorophenyl)-2-[2-[methoxy(methyl)amino]-2-oxoethoxy]pyrimidine-5-carboxamide (PubChem CID 90948178) has the molecular formula C15H15FN4O4 and a molecular weight of 334.31 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[2-[methoxy(methyl)amino]-2-oxoethoxy]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[2-[methoxy(methyl)amino]-2-oxoethoxy]pyrimidine-5-carboxamide
PubChem CID90948178
Molecular FormulaC15H15FN4O4
Molecular Weight334.31 g/mol
Exact Mass334.11
IUPAC NameN-(4-fluorophenyl)-2-[2-[methoxy(methyl)amino]-2-oxoethoxy]pyrimidine-5-carboxamide
SMILESCON(C)C(=O)COc1ncc(C(=O)Nc2ccc(F)cc2)cn1
InChIInChI=1S/C15H15FN4O4/c1-20(23-2)13(21)9-24-15-17-7-10(8-18-15)14(22)19-12-5-3-11(16)4-6-12/h3-8H,9H2,1-2H3,(H,19,22)
InChIKeySRKQAOHSLIFNTD-UHFFFAOYSA-N
XLogP1.27
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.31
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-(dimethylamino)-2-oxoethoxy]-N-(4-fluorophenyl)pyrimidine-5-carboxamide
CID 91398668
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
2-[(3,4-dimethoxyphenyl)methylamino]-N-(4-fluorophenyl)pyrimidine-5-carboxamide
CID 109261551
2-[[5-(4-chlorophenyl)-2-methylfuran-3-yl]methoxy]-N-(4-fluorophenyl)pyrimidine-5-carboxamide
CID 86760385
N-[4-(dimethylamino)phenyl]-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109156661
2-(3,5-difluorophenoxy)-N-methoxy-N-methylacetamide
CID 91620381
ethyl 4-[[6-[(4-fluorophenyl)methylamino]pyridine-3-carbonyl]amino]benzoate
CID 109156667
N-(2-ethoxypyrimidin-5-yl)-4-methylbenzamide
CID 122301767
2-(2-chloro-4-fluorophenoxy)-N-methoxy-N-methylacetamide
CID 60652409
N-(4-bromophenyl)-2-(4-fluoroanilino)pyrimidine-5-carboxamide
CID 109268536

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[2-[methoxy(methyl)amino]-2-oxoethoxy]pyrimidine-5-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-2-[2-[methoxy(methyl)amino]-2-oxoethoxy]pyrimidine-5-carboxamide (CID 90948178) is N-(4-fluorophenyl)-2-[2-[methoxy(methyl)amino]-2-oxoethoxy]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[2-[methoxy(methyl)amino]-2-oxoethoxy]pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[2-[methoxy(methyl)amino]-2-oxoethoxy]pyrimidine-5-carboxamide is CON(C)C(=O)COc1ncc(C(=O)Nc2ccc(F)cc2)cn1.
What is the InChIKey of N-(4-fluorophenyl)-2-[2-[methoxy(methyl)amino]-2-oxoethoxy]pyrimidine-5-carboxamide?
The InChIKey is SRKQAOHSLIFNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O4/c1-20(23-2)13(21)9-24-15-17-7-10(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 N-(4-fluorophenyl)-2-[2-[methoxy(methyl)amino]-2-oxoethoxy]pyrimidine-5-carboxamide?
N-(4-fluorophenyl)-2-[2-[methoxy(methyl)amino]-2-oxoethoxy]pyrimidine-5-carboxamide has a molecular weight of 334.31 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[2-[methoxy(methyl)amino]-2-oxoethoxy]pyrimidine-5-carboxamide is sourced from PubChem (CID 90948178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).