5-(2-cyclopentylethyl)-2-(methylideneamino)oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione

C15H17N3O4 — CID 143517390

IUPAC5-(2-cyclopentylethyl)-2-(methylideneamino)oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESC=NOc1nc2oc(=O)cc(CCC3CCCC3)c2c(=O)[nH]1
InChIInChI=1S/C15H17N3O4/c1-16-22-15-17-13(20)12-10(7-6-9-4-2-3-5-9)8-11(19)21-14(12)18-15/h8-9H,1-7H2,(H,17,18,20)
InChIKeyFPRJXOBYMPZBBM-UHFFFAOYSA-N
MW303.32 g/mol
LogP1.99
Rot. Bonds5

About 5-(2-cyclopentylethyl)-2-(methylideneamino)oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione

5-(2-cyclopentylethyl)-2-(methylideneamino)oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione (PubChem CID 143517390) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 5-(2-cyclopentylethyl)-2-(methylideneamino)oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name5-(2-cyclopentylethyl)-2-(methylideneamino)oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione
PubChem CID143517390
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name5-(2-cyclopentylethyl)-2-(methylideneamino)oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESC=NOc1nc2oc(=O)cc(CCC3CCCC3)c2c(=O)[nH]1
InChIInChI=1S/C15H17N3O4/c1-16-22-15-17-13(20)12-10(7-6-9-4-2-3-5-9)8-11(19)21-14(12)18-15/h8-9H,1-7H2,(H,17,18,20)
InChIKeyFPRJXOBYMPZBBM-UHFFFAOYSA-N
XLogP1.99
TPSA97.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.99
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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Related Compounds

5-(2-cyclobutylethyl)-2-pent-2-ynoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 24953854
5-(2-cyclopentylethyl)-2-pent-2-ynoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 24953857
5-(2-cyclopentylethyl)-2-methoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 57390147
2-methoxy-5-(3-methylbutyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 57393656
5-(3-cyclopropylpropyl)-2-pentoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 57402399
5-(3-cyclopropylpropyl)-2-[(E)-pent-2-enoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 57397204
5-(2-cyclopentylethyl)-2-(fluoromethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 24954567
5-(2-cyclopentylethyl)-2-(trifluoromethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 24955292
5-(2-cyclopentylethyl)-2-[[4-(1,1-difluoroethyl)cyclohexylidene]amino]oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 58187319
5-(2-cyclopentylethyl)-2-[(4-fluoro-4-methylcyclohexylidene)amino]oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 58187621
5-(2-cyclopentylethyl)-2-[[4-(trifluoromethyl)cyclohexylidene]amino]oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 58925945
5-(2-cyclopentylethyl)-2-[(4,4-difluorocyclohexylidene)amino]oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 59389431

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopentylethyl)-2-(methylideneamino)oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 5-(2-cyclopentylethyl)-2-(methylideneamino)oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione (CID 143517390) is 5-(2-cyclopentylethyl)-2-(methylideneamino)oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 5-(2-cyclopentylethyl)-2-(methylideneamino)oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 5-(2-cyclopentylethyl)-2-(methylideneamino)oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione is C=NOc1nc2oc(=O)cc(CCC3CCCC3)c2c(=O)[nH]1.
What is the InChIKey of 5-(2-cyclopentylethyl)-2-(methylideneamino)oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The InChIKey is FPRJXOBYMPZBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-16-22-15-17-13(20)12-10(7-6-9-4-2-3-5-9)8-11(19)21-14(12)18-15/h8-9H,1-7H2,(H,17,18,20).
What are the key properties of 5-(2-cyclopentylethyl)-2-(methylideneamino)oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
5-(2-cyclopentylethyl)-2-(methylideneamino)oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione has a molecular weight of 303.32 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopentylethyl)-2-(methylideneamino)oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 143517390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).