methyl 1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-oxopyrimidine-5-carboxylate

C15H14FN3O4 — CID 95921261

IUPACmethyl 1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-oxopyrimidine-5-carboxylate
SMILESCOC(=O)c1cncn(CC(=O)NCc2ccc(F)cc2)c1=O
InChIInChI=1S/C15H14FN3O4/c1-23-15(22)12-7-17-9-19(14(12)21)8-13(20)18-6-10-2-4-11(16)5-3-10/h2-5,7,9H,6,8H2,1H3,(H,18,20)
InChIKeyNRFFDSYVKMSPKU-UHFFFAOYSA-N
MW319.29 g/mol
LogP0.49
Rot. Bonds5

About methyl 1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-oxopyrimidine-5-carboxylate

methyl 1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-oxopyrimidine-5-carboxylate (PubChem CID 95921261) has the molecular formula C15H14FN3O4 and a molecular weight of 319.29 g/mol. Its IUPAC name is methyl 1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-oxopyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-oxopyrimidine-5-carboxylate
PubChem CID95921261
Molecular FormulaC15H14FN3O4
Molecular Weight319.29 g/mol
Exact Mass319.10
IUPAC Namemethyl 1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-oxopyrimidine-5-carboxylate
SMILESCOC(=O)c1cncn(CC(=O)NCc2ccc(F)cc2)c1=O
InChIInChI=1S/C15H14FN3O4/c1-23-15(22)12-7-17-9-19(14(12)21)8-13(20)18-6-10-2-4-11(16)5-3-10/h2-5,7,9H,6,8H2,1H3,(H,18,20)
InChIKeyNRFFDSYVKMSPKU-UHFFFAOYSA-N
XLogP0.49
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.29
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-[(2,5-difluorophenyl)methyl]-6-oxopyrimidine-5-carboxylate
CID 95921264
methyl 1-[2-(4-chlorophenyl)-2-oxoethyl]-6-oxopyrimidine-5-carboxylate
CID 95921246
ethyl 3-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8651747
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 8536635
1-[(4-fluorophenyl)methyl]-3-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]urea
CID 121121395
N-[[4-(ethoxymethyl)phenyl]methyl]-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 167848621
2-[1-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 16798492
2-[1-(2,3-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 7243804
N-[(4-fluorophenyl)methyl]-2-[7-(4-fluorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide
CID 45498997
2-(4-bromo-3-methylpyrazol-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 19517093
methyl 3-[(4-fluorophenyl)methylamino]pyridine-4-carboxylate
CID 83322074
N-[(4-methoxyphenyl)methyl]-2-(2-methylsulfanyl-5-oxopyrimido[4,5-d]pyrimidin-6-yl)acetamide
CID 46290325

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-oxopyrimidine-5-carboxylate?
The IUPAC name of methyl 1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-oxopyrimidine-5-carboxylate (CID 95921261) is methyl 1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-oxopyrimidine-5-carboxylate.
What is the SMILES notation for methyl 1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-oxopyrimidine-5-carboxylate?
The canonical SMILES for methyl 1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-oxopyrimidine-5-carboxylate is COC(=O)c1cncn(CC(=O)NCc2ccc(F)cc2)c1=O.
What is the InChIKey of methyl 1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-oxopyrimidine-5-carboxylate?
The InChIKey is NRFFDSYVKMSPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O4/c1-23-15(22)12-7-17-9-19(14(12)21)8-13(20)18-6-10-2-4-11(16)5-3-10/h2-5,7,9H,6,8H2,1H3,(H,18,20).
What are the key properties of methyl 1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-oxopyrimidine-5-carboxylate?
methyl 1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-oxopyrimidine-5-carboxylate has a molecular weight of 319.29 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-oxopyrimidine-5-carboxylate is sourced from PubChem (CID 95921261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).