6-(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid

C17H19N3O5 — CID 119135835

IUPAC6-(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESCc1oc2ncn(C)c(=O)c2c1C(=O)N1CCC2(CC1)CC2C(=O)O
InChIInChI=1S/C17H19N3O5/c1-9-11(12-13(25-9)18-8-19(2)14(12)21)15(22)20-5-3-17(4-6-20)7-10(17)16(23)24/h8,10H,3-7H2,1-2H3,(H,23,24)
InChIKeyMRFNKAWEYUOUAJ-UHFFFAOYSA-N
MW345.36 g/mol
LogP1.16
Rot. Bonds2

About 6-(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid

6-(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid (PubChem CID 119135835) has the molecular formula C17H19N3O5 and a molecular weight of 345.36 g/mol. Its IUPAC name is 6-(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid.

Molecular Properties

Compound Name6-(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
PubChem CID119135835
Molecular FormulaC17H19N3O5
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC Name6-(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESCc1oc2ncn(C)c(=O)c2c1C(=O)N1CCC2(CC1)CC2C(=O)O
InChIInChI=1S/C17H19N3O5/c1-9-11(12-13(25-9)18-8-19(2)14(12)21)15(22)20-5-3-17(4-6-20)7-10(17)16(23)24/h8,10H,3-7H2,1-2H3,(H,23,24)
InChIKeyMRFNKAWEYUOUAJ-UHFFFAOYSA-N
XLogP1.16
TPSA105.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid with MolForge

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Related Compounds

1-(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)-4-phenylpiperidine-4-carboxylic acid
CID 119135716
(3S)-1-(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)piperidine-3-carboxylic acid
CID 119135818
5-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-3,6-dimethylfuro[2,3-d]pyrimidin-4-one
CID 53209286
3,6-dimethyl-5-[4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]furo[2,3-d]pyrimidin-4-one
CID 91949898
N-[1-(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)piperidin-4-yl]-2-methylbenzamide
CID 55688895
3,6-dimethyl-5-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]furo[2,3-d]pyrimidin-4-one
CID 55683104
6-(2,5-dimethylfuran-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175577
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-3,6-dimethylfuro[2,3-d]pyrimidin-4-one
CID 20925098
6-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174861
3-(2-methoxyethyl)-6-methyl-5-(piperidine-1-carbonyl)furo[2,3-d]pyrimidin-4-one
CID 91950060
3,6-dimethyl-5-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperazine-1-carbonyl]furo[2,3-d]pyrimidin-4-one
CID 55973975
(2R)-6-(5-methylfuran-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 129469595

Frequently Asked Questions

What is the IUPAC name of 6-(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The IUPAC name of 6-(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid (CID 119135835) is 6-(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid.
What is the SMILES notation for 6-(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The canonical SMILES for 6-(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid is Cc1oc2ncn(C)c(=O)c2c1C(=O)N1CCC2(CC1)CC2C(=O)O.
What is the InChIKey of 6-(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The InChIKey is MRFNKAWEYUOUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5/c1-9-11(12-13(25-9)18-8-19(2)14(12)21)15(22)20-5-3-17(4-6-20)7-10(17)16(23)24/h8,10H,3-7H2,1-2H3,(H,23,24).
What are the key properties of 6-(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
6-(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid has a molecular weight of 345.36 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid is sourced from PubChem (CID 119135835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).