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

C17H17N5O3 — CID 90645175

IUPAC1-hydroxy-4-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-2-one
SMILESO=c1nc(Nc2ccc(N3CCOCC3)cc2)c2cccnc2n1O
InChIInChI=1S/C17H17N5O3/c23-17-20-15(14-2-1-7-18-16(14)22(17)24)19-12-3-5-13(6-4-12)21-8-10-25-11-9-21/h1-7,24H,8-11H2,(H,19,20,23)
InChIKeyULTNGVGRGIEWKL-UHFFFAOYSA-N
MW339.36 g/mol
LogP1.61
Rot. Bonds3

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

1-hydroxy-4-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-2-one (PubChem CID 90645175) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is 1-hydroxy-4-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name1-hydroxy-4-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-2-one
PubChem CID90645175
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC Name1-hydroxy-4-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-2-one
SMILESO=c1nc(Nc2ccc(N3CCOCC3)cc2)c2cccnc2n1O
InChIInChI=1S/C17H17N5O3/c23-17-20-15(14-2-1-7-18-16(14)22(17)24)19-12-3-5-13(6-4-12)21-8-10-25-11-9-21/h1-7,24H,8-11H2,(H,19,20,23)
InChIKeyULTNGVGRGIEWKL-UHFFFAOYSA-N
XLogP1.61
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'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-ylanilino)pyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 1-hydroxy-4-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-2-one (CID 90645175) is 1-hydroxy-4-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 1-hydroxy-4-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 1-hydroxy-4-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-2-one is O=c1nc(Nc2ccc(N3CCOCC3)cc2)c2cccnc2n1O.
What is the InChIKey of 1-hydroxy-4-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-2-one?
The InChIKey is ULTNGVGRGIEWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c23-17-20-15(14-2-1-7-18-16(14)22(17)24)19-12-3-5-13(6-4-12)21-8-10-25-11-9-21/h1-7,24H,8-11H2,(H,19,20,23).
What are the key properties of 1-hydroxy-4-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-2-one?
1-hydroxy-4-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 339.36 g/mol, XLogP of 1.61, 3 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-ylanilino)pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 90645175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).