3-[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylic acid

C16H15N3O6 — CID 45406874

IUPAC3-[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylic acid
SMILESCc1oc2ncn(CC(=O)NC(C)c3ccco3)c(=O)c2c1C(=O)O
InChIInChI=1S/C16H15N3O6/c1-8(10-4-3-5-24-10)18-11(20)6-19-7-17-14-13(15(19)21)12(16(22)23)9(2)25-14/h3-5,7-8H,6H2,1-2H3,(H,18,20)(H,22,23)
InChIKeyQGLMVZCCOMCFLB-UHFFFAOYSA-N
MW345.31 g/mol
LogP1.47
Rot. Bonds5

About 3-[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylic acid

3-[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylic acid (PubChem CID 45406874) has the molecular formula C16H15N3O6 and a molecular weight of 345.31 g/mol. Its IUPAC name is 3-[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name3-[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylic acid
PubChem CID45406874
Molecular FormulaC16H15N3O6
Molecular Weight345.31 g/mol
Exact Mass345.10
IUPAC Name3-[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylic acid
SMILESCc1oc2ncn(CC(=O)NC(C)c3ccco3)c(=O)c2c1C(=O)O
InChIInChI=1S/C16H15N3O6/c1-8(10-4-3-5-24-10)18-11(20)6-19-7-17-14-13(15(19)21)12(16(22)23)9(2)25-14/h3-5,7-8H,6H2,1-2H3,(H,18,20)(H,22,23)
InChIKeyQGLMVZCCOMCFLB-UHFFFAOYSA-N
XLogP1.47
TPSA127.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylic acid with MolForge

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Related Compounds

N-[(1R)-1-(furan-2-yl)ethyl]-2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 8573348
ethyl 6-methyl-4-oxo-3-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]furo[2,3-d]pyrimidine-5-carboxylate
CID 8652686
ethyl 3-[2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8652447
ethyl 3-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8652593
2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-(furan-2-ylmethyl)acetamide
CID 53023985
6-methyl-4-oxo-3-(2-phenoxyethyl)furo[2,3-d]pyrimidine-5-carboxylic acid
CID 45406557
ethyl 3-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8653323
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91950270
N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 95074228
ethyl 6-methyl-3-[2-(methylamino)-2-oxoethyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8651847
N-[1-(furan-2-yl)ethyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 51073359
2-(5,6-difluorobenzimidazol-1-yl)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 31808023

Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylic acid?
The IUPAC name of 3-[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylic acid (CID 45406874) is 3-[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 3-[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylic acid?
The canonical SMILES for 3-[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylic acid is Cc1oc2ncn(CC(=O)NC(C)c3ccco3)c(=O)c2c1C(=O)O.
What is the InChIKey of 3-[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylic acid?
The InChIKey is QGLMVZCCOMCFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O6/c1-8(10-4-3-5-24-10)18-11(20)6-19-7-17-14-13(15(19)21)12(16(22)23)9(2)25-14/h3-5,7-8H,6H2,1-2H3,(H,18,20)(H,22,23).
What are the key properties of 3-[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylic acid?
3-[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylic acid has a molecular weight of 345.31 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 45406874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).