N-[1-(furan-2-ylmethyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide

C14H11F3N4O5 — CID 2966907

IUPACN-[1-(furan-2-ylmethyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide
SMILESCC(=O)NC1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2Cc1ccco1
InChIInChI=1S/C14H11F3N4O5/c1-6(22)20-13(14(15,16)17)8-9(18-11(13)24)21(12(25)19-10(8)23)5-7-3-2-4-26-7/h2-4H,5H2,1H3,(H,18,24)(H,20,22)(H,19,23,25)
InChIKeyCDSHCXDIRXYMEO-UHFFFAOYSA-N
MW372.26 g/mol
LogP0.02
Rot. Bonds3

About N-[1-(furan-2-ylmethyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide

N-[1-(furan-2-ylmethyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide (PubChem CID 2966907) has the molecular formula C14H11F3N4O5 and a molecular weight of 372.26 g/mol. Its IUPAC name is N-[1-(furan-2-ylmethyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide.

Molecular Properties

Compound NameN-[1-(furan-2-ylmethyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide
PubChem CID2966907
Molecular FormulaC14H11F3N4O5
Molecular Weight372.26 g/mol
Exact Mass372.07
IUPAC NameN-[1-(furan-2-ylmethyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide
SMILESCC(=O)NC1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2Cc1ccco1
InChIInChI=1S/C14H11F3N4O5/c1-6(22)20-13(14(15,16)17)8-9(18-11(13)24)21(12(25)19-10(8)23)5-7-3-2-4-26-7/h2-4H,5H2,1H3,(H,18,24)(H,20,22)(H,19,23,25)
InChIKeyCDSHCXDIRXYMEO-UHFFFAOYSA-N
XLogP0.02
TPSA126.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.26
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-benzyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]furan-2-carboxamide
CID 3837456
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 16301230
N-[1-(furan-2-ylmethyl)-4-hydroxy-2,6-dioxo-5-(trifluoromethyl)-2,5,6,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]propanamide
CID 663137
N-[1-(furan-2-ylmethyl)-4-hydroxy-2,6-dioxo-5-(trifluoromethyl)-2,5,6,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexanecarboxamide
CID 663160
N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide
CID 664405
N-[1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide
CID 2962308
N-[1-(2-furylmethyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]cyclohexanecarboxamide
CID 2969677
N-[1-(2-furylmethyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]pentanamide
CID 3237851
ethyl [1-(furan-2-ylmethyl)-2-hydroxy-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]carbamate
CID 664333
N-[4-acetyl-1-(2-furylmethyl)-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl]cyclohexanecarboxamide
CID 2967820
N~1~-cyclohexyl-N~2~-[(2,5-dioxoimidazolidin-4-yl)acetyl]-N~2~-(2-furylmethyl)isovalinamide
CID 3239828
4-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-N-(furan-2-ylmethyl)piperazine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 168296130

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-ylmethyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide?
The IUPAC name of N-[1-(furan-2-ylmethyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide (CID 2966907) is N-[1-(furan-2-ylmethyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide.
What is the SMILES notation for N-[1-(furan-2-ylmethyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide?
The canonical SMILES for N-[1-(furan-2-ylmethyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide is CC(=O)NC1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2Cc1ccco1.
What is the InChIKey of N-[1-(furan-2-ylmethyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide?
The InChIKey is CDSHCXDIRXYMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4O5/c1-6(22)20-13(14(15,16)17)8-9(18-11(13)24)21(12(25)19-10(8)23)5-7-3-2-4-26-7/h2-4H,5H2,1H3,(H,18,24)(H,20,22)(H,19,23,25).
What are the key properties of N-[1-(furan-2-ylmethyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide?
N-[1-(furan-2-ylmethyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide has a molecular weight of 372.26 g/mol, XLogP of 0.02, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-ylmethyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide is sourced from PubChem (CID 2966907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).