1-hydroxy-4-[4-(morpholin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-2-one

C18H19N5O3 — CID 90645176

IUPAC1-hydroxy-4-[4-(morpholin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-2-one
SMILESO=c1nc(Nc2ccc(CN3CCOCC3)cc2)c2cccnc2n1O
InChIInChI=1S/C18H19N5O3/c24-18-21-16(15-2-1-7-19-17(15)23(18)25)20-14-5-3-13(4-6-14)12-22-8-10-26-11-9-22/h1-7,25H,8-12H2,(H,20,21,24)
InChIKeyZOZVLRPEAUKARW-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.60
Rot. Bonds4

About 1-hydroxy-4-[4-(morpholin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-2-one

1-hydroxy-4-[4-(morpholin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-2-one (PubChem CID 90645176) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is 1-hydroxy-4-[4-(morpholin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name1-hydroxy-4-[4-(morpholin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-2-one
PubChem CID90645176
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Name1-hydroxy-4-[4-(morpholin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-2-one
SMILESO=c1nc(Nc2ccc(CN3CCOCC3)cc2)c2cccnc2n1O
InChIInChI=1S/C18H19N5O3/c24-18-21-16(15-2-1-7-19-17(15)23(18)25)20-14-5-3-13(4-6-14)12-22-8-10-26-11-9-22/h1-7,25H,8-12H2,(H,20,21,24)
InChIKeyZOZVLRPEAUKARW-UHFFFAOYSA-N
XLogP1.60
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4-[4-(morpholin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 1-hydroxy-4-[4-(morpholin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-2-one (CID 90645176) is 1-hydroxy-4-[4-(morpholin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 1-hydroxy-4-[4-(morpholin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 1-hydroxy-4-[4-(morpholin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-2-one is O=c1nc(Nc2ccc(CN3CCOCC3)cc2)c2cccnc2n1O.
What is the InChIKey of 1-hydroxy-4-[4-(morpholin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-2-one?
The InChIKey is ZOZVLRPEAUKARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c24-18-21-16(15-2-1-7-19-17(15)23(18)25)20-14-5-3-13(4-6-14)12-22-8-10-26-11-9-22/h1-7,25H,8-12H2,(H,20,21,24).
What are the key properties of 1-hydroxy-4-[4-(morpholin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-2-one?
1-hydroxy-4-[4-(morpholin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 353.38 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-[4-(morpholin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 90645176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).