1-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)amino]cyclobutane-1-carboxylic acid

C13H13N3O5 — CID 81165040

IUPAC1-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)amino]cyclobutane-1-carboxylic acid
SMILESCc1oc2nc[nH]c(=O)c2c1C(=O)NC1(C(=O)O)CCC1
InChIInChI=1S/C13H13N3O5/c1-6-7(8-9(17)14-5-15-11(8)21-6)10(18)16-13(12(19)20)3-2-4-13/h5H,2-4H2,1H3,(H,16,18)(H,19,20)(H,14,15,17)
InChIKeyWGTPPOQYAJLLPR-UHFFFAOYSA-N
MW291.26 g/mol
LogP0.56
Rot. Bonds3

About 1-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)amino]cyclobutane-1-carboxylic acid

1-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)amino]cyclobutane-1-carboxylic acid (PubChem CID 81165040) has the molecular formula C13H13N3O5 and a molecular weight of 291.26 g/mol. Its IUPAC name is 1-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)amino]cyclobutane-1-carboxylic acid
PubChem CID81165040
Molecular FormulaC13H13N3O5
Molecular Weight291.26 g/mol
Exact Mass291.09
IUPAC Name1-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)amino]cyclobutane-1-carboxylic acid
SMILESCc1oc2nc[nH]c(=O)c2c1C(=O)NC1(C(=O)O)CCC1
InChIInChI=1S/C13H13N3O5/c1-6-7(8-9(17)14-5-15-11(8)21-6)10(18)16-13(12(19)20)3-2-4-13/h5H,2-4H2,1H3,(H,16,18)(H,19,20)(H,14,15,17)
InChIKeyWGTPPOQYAJLLPR-UHFFFAOYSA-N
XLogP0.56
TPSA125.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)amino]cyclobutane-1-carboxylic acid with MolForge

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Related Compounds

6-methyl-N-[(3-methyloxetan-3-yl)methyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 78957760
N-(4,5-dimethoxy-2-methylphenyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 75493186
6-methyl-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 154798288
N-(2,4-dimethylphenyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 143746633
N-(3-amino-2-hydroxy-3-oxopropyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 107261163
5-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one
CID 79404295
6-methyl-4-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 60981855
N-[(2R)-2-(ethylamino)propyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 120651735
N-[(2-cyclobutyloxyphenyl)methyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 99564537
N-[1-(furan-2-yl)ethyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 51073359
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 51087403
N-[2-(4-bromoanilino)-2-oxoethyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 55960049

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)amino]cyclobutane-1-carboxylic acid (CID 81165040) is 1-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)amino]cyclobutane-1-carboxylic acid is Cc1oc2nc[nH]c(=O)c2c1C(=O)NC1(C(=O)O)CCC1.
What is the InChIKey of 1-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)amino]cyclobutane-1-carboxylic acid?
The InChIKey is WGTPPOQYAJLLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O5/c1-6-7(8-9(17)14-5-15-11(8)21-6)10(18)16-13(12(19)20)3-2-4-13/h5H,2-4H2,1H3,(H,16,18)(H,19,20)(H,14,15,17).
What are the key properties of 1-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)amino]cyclobutane-1-carboxylic acid?
1-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)amino]cyclobutane-1-carboxylic acid has a molecular weight of 291.26 g/mol, XLogP of 0.56, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81165040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).