8-ethyl-2-(4-hydroxyanilino)pyrido[2,3-d]pyrimidin-7-one

C15H14N4O2 — CID 5330212

IUPAC8-ethyl-2-(4-hydroxyanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)ccc2cnc(Nc3ccc(O)cc3)nc21
InChIInChI=1S/C15H14N4O2/c1-2-19-13(21)8-3-10-9-16-15(18-14(10)19)17-11-4-6-12(20)7-5-11/h3-9,20H,2H2,1H3,(H,16,17,18)
InChIKeyYBTUXCFDBLSBLC-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.26
Rot. Bonds3

About 8-ethyl-2-(4-hydroxyanilino)pyrido[2,3-d]pyrimidin-7-one

8-ethyl-2-(4-hydroxyanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 5330212) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 8-ethyl-2-(4-hydroxyanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-ethyl-2-(4-hydroxyanilino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID5330212
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name8-ethyl-2-(4-hydroxyanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)ccc2cnc(Nc3ccc(O)cc3)nc21
InChIInChI=1S/C15H14N4O2/c1-2-19-13(21)8-3-10-9-16-15(18-14(10)19)17-11-4-6-12(20)7-5-11/h3-9,20H,2H2,1H3,(H,16,17,18)
InChIKeyYBTUXCFDBLSBLC-UHFFFAOYSA-N
XLogP2.26
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-2-(4-hydroxyanilino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-ethyl-2-(4-hydroxyanilino)pyrido[2,3-d]pyrimidin-7-one (CID 5330212) is 8-ethyl-2-(4-hydroxyanilino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-ethyl-2-(4-hydroxyanilino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-ethyl-2-(4-hydroxyanilino)pyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)ccc2cnc(Nc3ccc(O)cc3)nc21.
What is the InChIKey of 8-ethyl-2-(4-hydroxyanilino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is YBTUXCFDBLSBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-2-19-13(21)8-3-10-9-16-15(18-14(10)19)17-11-4-6-12(20)7-5-11/h3-9,20H,2H2,1H3,(H,16,17,18).
What are the key properties of 8-ethyl-2-(4-hydroxyanilino)pyrido[2,3-d]pyrimidin-7-one?
8-ethyl-2-(4-hydroxyanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 282.30 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-2-(4-hydroxyanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5330212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).