[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate

C18H16FN3O5 — CID 35491302

IUPAC[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
SMILESCc1ccc(NC(=O)COC(=O)c2c(C)oc3ncn(C)c(=O)c23)cc1F
InChIInChI=1S/C18H16FN3O5/c1-9-4-5-11(6-12(9)19)21-13(23)7-26-18(25)14-10(2)27-16-15(14)17(24)22(3)8-20-16/h4-6,8H,7H2,1-3H3,(H,21,23)
InChIKeyAAPSODFFBLXWMO-UHFFFAOYSA-N
MW373.34 g/mol
LogP2.08
Rot. Bonds4

About [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate

[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate (PubChem CID 35491302) has the molecular formula C18H16FN3O5 and a molecular weight of 373.34 g/mol. Its IUPAC name is [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate.

Molecular Properties

Compound Name[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
PubChem CID35491302
Molecular FormulaC18H16FN3O5
Molecular Weight373.34 g/mol
Exact Mass373.11
IUPAC Name[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
SMILESCc1ccc(NC(=O)COC(=O)c2c(C)oc3ncn(C)c(=O)c23)cc1F
InChIInChI=1S/C18H16FN3O5/c1-9-4-5-11(6-12(9)19)21-13(23)7-26-18(25)14-10(2)27-16-15(14)17(24)22(3)8-20-16/h4-6,8H,7H2,1-3H3,(H,21,23)
InChIKeyAAPSODFFBLXWMO-UHFFFAOYSA-N
XLogP2.08
TPSA103.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate with MolForge

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Related Compounds

[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 35490576
[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 24522998
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 2584358
ethyl 3-[2-(3-fluoroanilino)-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8651858
N-[3-(4-bromoanilino)-3-oxopropyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 55952217
[2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 43051011
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 3-butyl-4-oxophthalazine-1-carboxylate
CID 7167876
N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 55973160
ethyl 3-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8651914
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2519085
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 3-hexyl-4-oxophthalazine-1-carboxylate
CID 2423444
N-[6-(4-fluorophenoxy)-3-pyridinyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 55964443

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate?
The IUPAC name of [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate (CID 35491302) is [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate.
What is the SMILES notation for [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate?
The canonical SMILES for [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate is Cc1ccc(NC(=O)COC(=O)c2c(C)oc3ncn(C)c(=O)c23)cc1F.
What is the InChIKey of [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate?
The InChIKey is AAPSODFFBLXWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O5/c1-9-4-5-11(6-12(9)19)21-13(23)7-26-18(25)14-10(2)27-16-15(14)17(24)22(3)8-20-16/h4-6,8H,7H2,1-3H3,(H,21,23).
What are the key properties of [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate?
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate has a molecular weight of 373.34 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate is sourced from PubChem (CID 35491302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).