ethyl 4-amino-6-methyl-2-[(1-propylsulfonylpyrrolidine-2-carbonyl)oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate

C19H26N4O7S — CID 55493709

IUPACethyl 4-amino-6-methyl-2-[(1-propylsulfonylpyrrolidine-2-carbonyl)oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate
SMILESCCCS(=O)(=O)N1CCCC1C(=O)OCc1nc(N)c2c(C(=O)OCC)c(C)oc2n1
InChIInChI=1S/C19H26N4O7S/c1-4-9-31(26,27)23-8-6-7-12(23)18(24)29-10-13-21-16(20)15-14(19(25)28-5-2)11(3)30-17(15)22-13/h12H,4-10H2,1-3H3,(H2,20,21,22)
InChIKeyVYHNJFSKWSLZPT-UHFFFAOYSA-N
MW454.51 g/mol
LogP1.54
Rot. Bonds8

About ethyl 4-amino-6-methyl-2-[(1-propylsulfonylpyrrolidine-2-carbonyl)oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate

ethyl 4-amino-6-methyl-2-[(1-propylsulfonylpyrrolidine-2-carbonyl)oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate (PubChem CID 55493709) has the molecular formula C19H26N4O7S and a molecular weight of 454.51 g/mol. Its IUPAC name is ethyl 4-amino-6-methyl-2-[(1-propylsulfonylpyrrolidine-2-carbonyl)oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-6-methyl-2-[(1-propylsulfonylpyrrolidine-2-carbonyl)oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate
PubChem CID55493709
Molecular FormulaC19H26N4O7S
Molecular Weight454.51 g/mol
Exact Mass454.15
IUPAC Nameethyl 4-amino-6-methyl-2-[(1-propylsulfonylpyrrolidine-2-carbonyl)oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate
SMILESCCCS(=O)(=O)N1CCCC1C(=O)OCc1nc(N)c2c(C(=O)OCC)c(C)oc2n1
InChIInChI=1S/C19H26N4O7S/c1-4-9-31(26,27)23-8-6-7-12(23)18(24)29-10-13-21-16(20)15-14(19(25)28-5-2)11(3)30-17(15)22-13/h12H,4-10H2,1-3H3,(H2,20,21,22)
InChIKeyVYHNJFSKWSLZPT-UHFFFAOYSA-N
XLogP1.54
TPSA154.92 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.51
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze ethyl 4-amino-6-methyl-2-[(1-propylsulfonylpyrrolidine-2-carbonyl)oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate with MolForge

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Related Compounds

ethyl 4-amino-6-methyl-2-[[(3R)-3-(trifluoromethyl)piperidin-1-yl]methyl]furo[2,3-d]pyrimidine-5-carboxylate
CID 40954476
ethyl 4-amino-6-methyl-2-[(4-methyl-3-sulfamoylbenzoyl)oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate
CID 55569452
ethyl 4-amino-2-[(3,5-dimethoxy-4-methylbenzoyl)oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 30036376
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1-propylsulfonylpyrrolidine-2-carboxylate
CID 42921046
ethyl 2-[(4-acetamidobenzoyl)oxymethyl]-4-amino-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 27011384
ethyl 4-amino-6-methyl-2-[[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate
CID 37178342
ethyl 4-amino-2-[(4-chloro-1H-pyrrole-2-carbonyl)oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 30036602
(4-carbamoylphenyl)methyl (2S)-1-propylsulfonylpyrrolidine-2-carboxylate
CID 41489854
(4-carbamoylphenyl)methyl 1-propylsulfonylpyrrolidine-2-carboxylate
CID 42929005
(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-propylsulfonylpyrrolidine-2-carboxylate
CID 55477076
ethyl 4-amino-6-methyl-2-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoyloxymethyl]furo[2,3-d]pyrimidine-5-carboxylate
CID 42020847
ethyl 4-amino-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 46805243

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-6-methyl-2-[(1-propylsulfonylpyrrolidine-2-carbonyl)oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-amino-6-methyl-2-[(1-propylsulfonylpyrrolidine-2-carbonyl)oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate (CID 55493709) is ethyl 4-amino-6-methyl-2-[(1-propylsulfonylpyrrolidine-2-carbonyl)oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-amino-6-methyl-2-[(1-propylsulfonylpyrrolidine-2-carbonyl)oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-amino-6-methyl-2-[(1-propylsulfonylpyrrolidine-2-carbonyl)oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate is CCCS(=O)(=O)N1CCCC1C(=O)OCc1nc(N)c2c(C(=O)OCC)c(C)oc2n1.
What is the InChIKey of ethyl 4-amino-6-methyl-2-[(1-propylsulfonylpyrrolidine-2-carbonyl)oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate?
The InChIKey is VYHNJFSKWSLZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O7S/c1-4-9-31(26,27)23-8-6-7-12(23)18(24)29-10-13-21-16(20)15-14(19(25)28-5-2)11(3)30-17(15)22-13/h12H,4-10H2,1-3H3,(H2,20,21,22).
What are the key properties of ethyl 4-amino-6-methyl-2-[(1-propylsulfonylpyrrolidine-2-carbonyl)oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate?
ethyl 4-amino-6-methyl-2-[(1-propylsulfonylpyrrolidine-2-carbonyl)oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate has a molecular weight of 454.51 g/mol, XLogP of 1.54, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-6-methyl-2-[(1-propylsulfonylpyrrolidine-2-carbonyl)oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate is sourced from PubChem (CID 55493709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).