[1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate

C18H15F2N3O5 — CID 55425773

IUPAC[1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
SMILESCc1oc2ncn(C)c(=O)c2c1C(=O)OC(C)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C18H15F2N3O5/c1-8-13(14-16(27-8)21-7-23(3)17(14)25)18(26)28-9(2)15(24)22-12-5-4-10(19)6-11(12)20/h4-7,9H,1-3H3,(H,22,24)
InChIKeyHOAIFAQTKAUILY-UHFFFAOYSA-N
MW391.33 g/mol
LogP2.30
Rot. Bonds4

About [1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate

[1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate (PubChem CID 55425773) has the molecular formula C18H15F2N3O5 and a molecular weight of 391.33 g/mol. Its IUPAC name is [1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate.

Molecular Properties

Compound Name[1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
PubChem CID55425773
Molecular FormulaC18H15F2N3O5
Molecular Weight391.33 g/mol
Exact Mass391.10
IUPAC Name[1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
SMILESCc1oc2ncn(C)c(=O)c2c1C(=O)OC(C)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C18H15F2N3O5/c1-8-13(14-16(27-8)21-7-23(3)17(14)25)18(26)28-9(2)15(24)22-12-5-4-10(19)6-11(12)20/h4-7,9H,1-3H3,(H,22,24)
InChIKeyHOAIFAQTKAUILY-UHFFFAOYSA-N
XLogP2.30
TPSA103.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate with MolForge

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Related Compounds

[1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 2,4,6-trimethylbenzoate
CID 43048492
[(2S)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate
CID 8958994
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 35491302
ethyl 3-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8651914
[1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 4-bromobenzoate
CID 46619659
[1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate
CID 46625552
N-[6-(4-fluorophenoxy)-3-pyridinyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 55964443
[(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate
CID 8951065
[(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 4-methylsulfanylbenzoate
CID 8994657
[(2R)-1-(4-bromo-2-fluoroanilino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 8954796
[1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 17394543
[(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 8950941

Frequently Asked Questions

What is the IUPAC name of [1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate?
The IUPAC name of [1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate (CID 55425773) is [1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate.
What is the SMILES notation for [1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate?
The canonical SMILES for [1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate is Cc1oc2ncn(C)c(=O)c2c1C(=O)OC(C)C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of [1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate?
The InChIKey is HOAIFAQTKAUILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O5/c1-8-13(14-16(27-8)21-7-23(3)17(14)25)18(26)28-9(2)15(24)22-12-5-4-10(19)6-11(12)20/h4-7,9H,1-3H3,(H,22,24).
What are the key properties of [1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate?
[1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate has a molecular weight of 391.33 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate is sourced from PubChem (CID 55425773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).