2-(3-chloro-4-morpholin-4-ylanilino)-5-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one

C21H24ClN5O2 — CID 10223508

IUPAC2-(3-chloro-4-morpholin-4-ylanilino)-5-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(=O)n(C(C)C)c2nc(Nc3ccc(N4CCOCC4)c(Cl)c3)ncc12
InChIInChI=1S/C21H24ClN5O2/c1-13(2)27-19(28)10-14(3)16-12-23-21(25-20(16)27)24-15-4-5-18(17(22)11-15)26-6-8-29-9-7-26/h4-5,10-13H,6-9H2,1-3H3,(H,23,24,25)
InChIKeyBJPYBSQNPHNFMK-UHFFFAOYSA-N
MW413.91 g/mol
LogP3.91
Rot. Bonds4

About 2-(3-chloro-4-morpholin-4-ylanilino)-5-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one

2-(3-chloro-4-morpholin-4-ylanilino)-5-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 10223508) has the molecular formula C21H24ClN5O2 and a molecular weight of 413.91 g/mol. Its IUPAC name is 2-(3-chloro-4-morpholin-4-ylanilino)-5-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-(3-chloro-4-morpholin-4-ylanilino)-5-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
PubChem CID10223508
Molecular FormulaC21H24ClN5O2
Molecular Weight413.91 g/mol
Exact Mass413.16
IUPAC Name2-(3-chloro-4-morpholin-4-ylanilino)-5-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(=O)n(C(C)C)c2nc(Nc3ccc(N4CCOCC4)c(Cl)c3)ncc12
InChIInChI=1S/C21H24ClN5O2/c1-13(2)27-19(28)10-14(3)16-12-23-21(25-20(16)27)24-15-4-5-18(17(22)11-15)26-6-8-29-9-7-26/h4-5,10-13H,6-9H2,1-3H3,(H,23,24,25)
InChIKeyBJPYBSQNPHNFMK-UHFFFAOYSA-N
XLogP3.91
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.91
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-(3-chloro-4-morpholin-4-ylanilino)-5-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one with MolForge

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Related Compounds

5-methyl-8-propan-2-yl-2-(4-pyridin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 10292618
2-[3-chloro-4-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]anilino]-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 10281305
5-fluoro-N-(3-fluoro-4-morpholin-4-ylphenyl)-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine
CID 68687886
N-(3-chloro-4-morpholin-4-ylphenyl)-4-(2,4-dimethyl-1H-pyrrol-3-yl)pyrimidin-2-amine
CID 24762454
7-(3-chloro-4-morpholin-4-ylanilino)-1-cyclopentyl-2-ethyl-4-methylpyrimido[5,4-e][1,2,4]triazin-3-one
CID 69188280
8-cyclohexyl-5-methyl-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 137436787
6-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-1-(6-oxo-1-propan-2-ylpyridazin-3-yl)-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one
CID 168755809
2-N-(3-chloro-4-methylphenyl)-4-N-(4-chlorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 18580181
4-N-(3-chloro-4-methylphenyl)-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112904072
6-chloro-5-methyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 11223713
1-cyclopentyl-3-[5-[(5,8-dimethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-2-(4-methylpiperazin-1-yl)phenyl]urea
CID 171547301
N-[4-(3-chloro-4-morpholin-4-ylanilino)-3-cyano-7-methylquinolin-6-yl]acetamide
CID 158177329

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-morpholin-4-ylanilino)-5-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-(3-chloro-4-morpholin-4-ylanilino)-5-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one (CID 10223508) is 2-(3-chloro-4-morpholin-4-ylanilino)-5-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-(3-chloro-4-morpholin-4-ylanilino)-5-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-(3-chloro-4-morpholin-4-ylanilino)-5-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one is Cc1cc(=O)n(C(C)C)c2nc(Nc3ccc(N4CCOCC4)c(Cl)c3)ncc12.
What is the InChIKey of 2-(3-chloro-4-morpholin-4-ylanilino)-5-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is BJPYBSQNPHNFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN5O2/c1-13(2)27-19(28)10-14(3)16-12-23-21(25-20(16)27)24-15-4-5-18(17(22)11-15)26-6-8-29-9-7-26/h4-5,10-13H,6-9H2,1-3H3,(H,23,24,25).
What are the key properties of 2-(3-chloro-4-morpholin-4-ylanilino)-5-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
2-(3-chloro-4-morpholin-4-ylanilino)-5-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 413.91 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-morpholin-4-ylanilino)-5-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 10223508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).