N-[1-[5-fluoro-4-(methylamino)-2-oxopyrimidin-1-yl]-2-(3-fluoro-4-methylphenyl)-2-oxoethyl]formamide

C15H14F2N4O3 — CID 171099145

IUPACN-[1-[5-fluoro-4-(methylamino)-2-oxopyrimidin-1-yl]-2-(3-fluoro-4-methylphenyl)-2-oxoethyl]formamide
SMILESCNc1nc(=O)n(C(NC=O)C(=O)c2ccc(C)c(F)c2)cc1F
InChIInChI=1S/C15H14F2N4O3/c1-8-3-4-9(5-10(8)16)12(23)14(19-7-22)21-6-11(17)13(18-2)20-15(21)24/h3-7,14H,1-2H3,(H,19,22)(H,18,20,24)
InChIKeyISIJYAZYEOCLOR-UHFFFAOYSA-N
MW336.30 g/mol
LogP1.00
Rot. Bonds6

About N-[1-[5-fluoro-4-(methylamino)-2-oxopyrimidin-1-yl]-2-(3-fluoro-4-methylphenyl)-2-oxoethyl]formamide

N-[1-[5-fluoro-4-(methylamino)-2-oxopyrimidin-1-yl]-2-(3-fluoro-4-methylphenyl)-2-oxoethyl]formamide (PubChem CID 171099145) has the molecular formula C15H14F2N4O3 and a molecular weight of 336.30 g/mol. Its IUPAC name is N-[1-[5-fluoro-4-(methylamino)-2-oxopyrimidin-1-yl]-2-(3-fluoro-4-methylphenyl)-2-oxoethyl]formamide.

Molecular Properties

Compound NameN-[1-[5-fluoro-4-(methylamino)-2-oxopyrimidin-1-yl]-2-(3-fluoro-4-methylphenyl)-2-oxoethyl]formamide
PubChem CID171099145
Molecular FormulaC15H14F2N4O3
Molecular Weight336.30 g/mol
Exact Mass336.10
IUPAC NameN-[1-[5-fluoro-4-(methylamino)-2-oxopyrimidin-1-yl]-2-(3-fluoro-4-methylphenyl)-2-oxoethyl]formamide
SMILESCNc1nc(=O)n(C(NC=O)C(=O)c2ccc(C)c(F)c2)cc1F
InChIInChI=1S/C15H14F2N4O3/c1-8-3-4-9(5-10(8)16)12(23)14(19-7-22)21-6-11(17)13(18-2)20-15(21)24/h3-7,14H,1-2H3,(H,19,22)(H,18,20,24)
InChIKeyISIJYAZYEOCLOR-UHFFFAOYSA-N
XLogP1.00
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.30
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-fluorophenyl)-2-oxo-1-[2-oxo-7-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-3-yl]ethyl]formamide
CID 171098722
N-[1-[[(E)-3-amino-2-fluoro-3-methyliminoprop-1-enyl]amino]-2-(3,4-difluorophenyl)-2-oxoethyl]-3-methylbenzamide
CID 171099066
N-[1-(7-cyclopropyl-2-oxopyrrolo[2,3-d]pyrimidin-3-yl)-2-(4-fluorophenyl)-2-oxoethyl]formamide
CID 171099076
N-[2-(3,4-difluorophenyl)-1-[5-fluoro-4-(methylamino)-2-oxopyrimidin-1-yl]-2-oxoethyl]-3-methylbenzamide
CID 171099254
N-[1-[5-fluoro-4-(methylamino)-2-oxopyrimidin-1-yl]-2-(3-fluoro-4-methylphenyl)-2-oxoethyl]-3-methylbenzamide
CID 171099273
N-[2-(4-fluorophenyl)-2-oxo-1-[2-oxo-7-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-3-yl]ethyl]-2-methylpropanamide
CID 174243801
N-[1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]formamide
CID 177328680
N-[1-[4-(2-methylpropyl)-2-oxopyrimidin-1-yl]-2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]formamide
CID 177328706
N-[1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-(3,5-difluoro-4-methylphenyl)-2-oxoethyl]formamide
CID 177328764
N-[1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-(3,4-difluorophenyl)-2-oxoethyl]formamide
CID 177328768
N-[1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-(3-fluoro-4-methylphenyl)-2-oxoethyl]formamide
CID 177328844
N-[1-[4-[(1S,2R)-2-fluorocyclopropyl]-2-oxopyrimidin-1-yl]-2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]formamide
CID 177328860

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-fluoro-4-(methylamino)-2-oxopyrimidin-1-yl]-2-(3-fluoro-4-methylphenyl)-2-oxoethyl]formamide?
The IUPAC name of N-[1-[5-fluoro-4-(methylamino)-2-oxopyrimidin-1-yl]-2-(3-fluoro-4-methylphenyl)-2-oxoethyl]formamide (CID 171099145) is N-[1-[5-fluoro-4-(methylamino)-2-oxopyrimidin-1-yl]-2-(3-fluoro-4-methylphenyl)-2-oxoethyl]formamide.
What is the SMILES notation for N-[1-[5-fluoro-4-(methylamino)-2-oxopyrimidin-1-yl]-2-(3-fluoro-4-methylphenyl)-2-oxoethyl]formamide?
The canonical SMILES for N-[1-[5-fluoro-4-(methylamino)-2-oxopyrimidin-1-yl]-2-(3-fluoro-4-methylphenyl)-2-oxoethyl]formamide is CNc1nc(=O)n(C(NC=O)C(=O)c2ccc(C)c(F)c2)cc1F.
What is the InChIKey of N-[1-[5-fluoro-4-(methylamino)-2-oxopyrimidin-1-yl]-2-(3-fluoro-4-methylphenyl)-2-oxoethyl]formamide?
The InChIKey is ISIJYAZYEOCLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N4O3/c1-8-3-4-9(5-10(8)16)12(23)14(19-7-22)21-6-11(17)13(18-2)20-15(21)24/h3-7,14H,1-2H3,(H,19,22)(H,18,20,24).
What are the key properties of N-[1-[5-fluoro-4-(methylamino)-2-oxopyrimidin-1-yl]-2-(3-fluoro-4-methylphenyl)-2-oxoethyl]formamide?
N-[1-[5-fluoro-4-(methylamino)-2-oxopyrimidin-1-yl]-2-(3-fluoro-4-methylphenyl)-2-oxoethyl]formamide has a molecular weight of 336.30 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-fluoro-4-(methylamino)-2-oxopyrimidin-1-yl]-2-(3-fluoro-4-methylphenyl)-2-oxoethyl]formamide is sourced from PubChem (CID 171099145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).