5-(2-cyclobutylethyl)-2-[(4-fluoro-4-methylcyclohexylidene)amino]oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione

C20H24FN3O4 — CID 143517307

IUPAC5-(2-cyclobutylethyl)-2-[(4-fluoro-4-methylcyclohexylidene)amino]oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCC1(F)CCC(=NOc2nc3oc(=O)cc(CCC4CCC4)c3c(=O)[nH]2)CC1
InChIInChI=1S/C20H24FN3O4/c1-20(21)9-7-14(8-10-20)24-28-19-22-17(26)16-13(6-5-12-3-2-4-12)11-15(25)27-18(16)23-19/h11-12H,2-10H2,1H3,(H,22,23,26)/b24-14-
InChIKeyFWZJWJIWUVVZJY-OYKKKHCWSA-N
MW389.43 g/mol
LogP3.65
Rot. Bonds5

About 5-(2-cyclobutylethyl)-2-[(4-fluoro-4-methylcyclohexylidene)amino]oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione

5-(2-cyclobutylethyl)-2-[(4-fluoro-4-methylcyclohexylidene)amino]oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione (PubChem CID 143517307) has the molecular formula C20H24FN3O4 and a molecular weight of 389.43 g/mol. Its IUPAC name is 5-(2-cyclobutylethyl)-2-[(4-fluoro-4-methylcyclohexylidene)amino]oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name5-(2-cyclobutylethyl)-2-[(4-fluoro-4-methylcyclohexylidene)amino]oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione
PubChem CID143517307
Molecular FormulaC20H24FN3O4
Molecular Weight389.43 g/mol
Exact Mass389.18
IUPAC Name5-(2-cyclobutylethyl)-2-[(4-fluoro-4-methylcyclohexylidene)amino]oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCC1(F)CCC(=NOc2nc3oc(=O)cc(CCC4CCC4)c3c(=O)[nH]2)CC1
InChIInChI=1S/C20H24FN3O4/c1-20(21)9-7-14(8-10-20)24-28-19-22-17(26)16-13(6-5-12-3-2-4-12)11-15(25)27-18(16)23-19/h11-12H,2-10H2,1H3,(H,22,23,26)/b24-14-
InChIKeyFWZJWJIWUVVZJY-OYKKKHCWSA-N
XLogP3.65
TPSA97.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclobutylethyl)-2-[(4-fluoro-4-methylcyclohexylidene)amino]oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 5-(2-cyclobutylethyl)-2-[(4-fluoro-4-methylcyclohexylidene)amino]oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione (CID 143517307) is 5-(2-cyclobutylethyl)-2-[(4-fluoro-4-methylcyclohexylidene)amino]oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 5-(2-cyclobutylethyl)-2-[(4-fluoro-4-methylcyclohexylidene)amino]oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 5-(2-cyclobutylethyl)-2-[(4-fluoro-4-methylcyclohexylidene)amino]oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione is CC1(F)CCC(=NOc2nc3oc(=O)cc(CCC4CCC4)c3c(=O)[nH]2)CC1.
What is the InChIKey of 5-(2-cyclobutylethyl)-2-[(4-fluoro-4-methylcyclohexylidene)amino]oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The InChIKey is FWZJWJIWUVVZJY-OYKKKHCWSA-N. The full InChI is InChI=1S/C20H24FN3O4/c1-20(21)9-7-14(8-10-20)24-28-19-22-17(26)16-13(6-5-12-3-2-4-12)11-15(25)27-18(16)23-19/h11-12H,2-10H2,1H3,(H,22,23,26)/b24-14-.
What are the key properties of 5-(2-cyclobutylethyl)-2-[(4-fluoro-4-methylcyclohexylidene)amino]oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
5-(2-cyclobutylethyl)-2-[(4-fluoro-4-methylcyclohexylidene)amino]oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione has a molecular weight of 389.43 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclobutylethyl)-2-[(4-fluoro-4-methylcyclohexylidene)amino]oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 143517307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).