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

C19H21N5O2 — CID 5330220

IUPAC8-ethyl-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)ccc2cnc(Nc3ccc(N4CCOCC4)cc3)nc21
InChIInChI=1S/C19H21N5O2/c1-2-24-17(25)8-3-14-13-20-19(22-18(14)24)21-15-4-6-16(7-5-15)23-9-11-26-12-10-23/h3-8,13H,2,9-12H2,1H3,(H,20,21,22)
InChIKeyPXTOVJWQCDYWEC-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.39
Rot. Bonds4

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

8-ethyl-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 5330220) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 8-ethyl-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-ethyl-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID5330220
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name8-ethyl-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)ccc2cnc(Nc3ccc(N4CCOCC4)cc3)nc21
InChIInChI=1S/C19H21N5O2/c1-2-24-17(25)8-3-14-13-20-19(22-18(14)24)21-15-4-6-16(7-5-15)23-9-11-26-12-10-23/h3-8,13H,2,9-12H2,1H3,(H,20,21,22)
InChIKeyPXTOVJWQCDYWEC-UHFFFAOYSA-N
XLogP2.39
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-ethyl-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one (CID 5330220) is 8-ethyl-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-ethyl-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-ethyl-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)ccc2cnc(Nc3ccc(N4CCOCC4)cc3)nc21.
What is the InChIKey of 8-ethyl-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is PXTOVJWQCDYWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-2-24-17(25)8-3-14-13-20-19(22-18(14)24)21-15-4-6-16(7-5-15)23-9-11-26-12-10-23/h3-8,13H,2,9-12H2,1H3,(H,20,21,22).
What are the key properties of 8-ethyl-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
8-ethyl-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 351.41 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5330220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).