2-(cyclopentylideneamino)oxy-5-[(3-fluorophenyl)methyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione

C19H16FN3O4 — CID 58187655

IUPAC2-(cyclopentylideneamino)oxy-5-[(3-fluorophenyl)methyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESO=c1cc(Cc2cccc(F)c2)c2c(=O)[nH]c(ON=C3CCCC3)nc2o1
InChIInChI=1S/C19H16FN3O4/c20-13-5-3-4-11(9-13)8-12-10-15(24)26-18-16(12)17(25)21-19(22-18)27-23-14-6-1-2-7-14/h3-5,9-10H,1-2,6-8H2,(H,21,22,25)
InChIKeyIJWCGPSOSTVUAE-UHFFFAOYSA-N
MW369.35 g/mol
LogP2.91
Rot. Bonds4

About 2-(cyclopentylideneamino)oxy-5-[(3-fluorophenyl)methyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione

2-(cyclopentylideneamino)oxy-5-[(3-fluorophenyl)methyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione (PubChem CID 58187655) has the molecular formula C19H16FN3O4 and a molecular weight of 369.35 g/mol. Its IUPAC name is 2-(cyclopentylideneamino)oxy-5-[(3-fluorophenyl)methyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name2-(cyclopentylideneamino)oxy-5-[(3-fluorophenyl)methyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
PubChem CID58187655
Molecular FormulaC19H16FN3O4
Molecular Weight369.35 g/mol
Exact Mass369.11
IUPAC Name2-(cyclopentylideneamino)oxy-5-[(3-fluorophenyl)methyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESO=c1cc(Cc2cccc(F)c2)c2c(=O)[nH]c(ON=C3CCCC3)nc2o1
InChIInChI=1S/C19H16FN3O4/c20-13-5-3-4-11(9-13)8-12-10-15(24)26-18-16(12)17(25)21-19(22-18)27-23-14-6-1-2-7-14/h3-5,9-10H,1-2,6-8H2,(H,21,22,25)
InChIKeyIJWCGPSOSTVUAE-UHFFFAOYSA-N
XLogP2.91
TPSA97.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 52.91
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 2-(cyclopentylideneamino)oxy-5-[(3-fluorophenyl)methyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 2-(cyclopentylideneamino)oxy-5-[(3-fluorophenyl)methyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione (CID 58187655) is 2-(cyclopentylideneamino)oxy-5-[(3-fluorophenyl)methyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 2-(cyclopentylideneamino)oxy-5-[(3-fluorophenyl)methyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 2-(cyclopentylideneamino)oxy-5-[(3-fluorophenyl)methyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione is O=c1cc(Cc2cccc(F)c2)c2c(=O)[nH]c(ON=C3CCCC3)nc2o1.
What is the InChIKey of 2-(cyclopentylideneamino)oxy-5-[(3-fluorophenyl)methyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The InChIKey is IJWCGPSOSTVUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O4/c20-13-5-3-4-11(9-13)8-12-10-15(24)26-18-16(12)17(25)21-19(22-18)27-23-14-6-1-2-7-14/h3-5,9-10H,1-2,6-8H2,(H,21,22,25).
What are the key properties of 2-(cyclopentylideneamino)oxy-5-[(3-fluorophenyl)methyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
2-(cyclopentylideneamino)oxy-5-[(3-fluorophenyl)methyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione has a molecular weight of 369.35 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylideneamino)oxy-5-[(3-fluorophenyl)methyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 58187655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).