5-methyl-2-(4-morpholin-4-ylanilino)-8-propyl-7H-pteridin-6-one

C20H26N6O2 — CID 129212841

IUPAC5-methyl-2-(4-morpholin-4-ylanilino)-8-propyl-7H-pteridin-6-one
SMILESCCCN1CC(=O)N(C)c2cnc(Nc3ccc(N4CCOCC4)cc3)nc21
InChIInChI=1S/C20H26N6O2/c1-3-8-26-14-18(27)24(2)17-13-21-20(23-19(17)26)22-15-4-6-16(7-5-15)25-9-11-28-12-10-25/h4-7,13H,3,8-12,14H2,1-2H3,(H,21,22,23)
InChIKeyAALWKNHRHVLZLR-UHFFFAOYSA-N
MW382.47 g/mol
LogP2.25
Rot. Bonds5

About 5-methyl-2-(4-morpholin-4-ylanilino)-8-propyl-7H-pteridin-6-one

5-methyl-2-(4-morpholin-4-ylanilino)-8-propyl-7H-pteridin-6-one (PubChem CID 129212841) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 5-methyl-2-(4-morpholin-4-ylanilino)-8-propyl-7H-pteridin-6-one.

Molecular Properties

Compound Name5-methyl-2-(4-morpholin-4-ylanilino)-8-propyl-7H-pteridin-6-one
PubChem CID129212841
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name5-methyl-2-(4-morpholin-4-ylanilino)-8-propyl-7H-pteridin-6-one
SMILESCCCN1CC(=O)N(C)c2cnc(Nc3ccc(N4CCOCC4)cc3)nc21
InChIInChI=1S/C20H26N6O2/c1-3-8-26-14-18(27)24(2)17-13-21-20(23-19(17)26)22-15-4-6-16(7-5-15)25-9-11-28-12-10-25/h4-7,13H,3,8-12,14H2,1-2H3,(H,21,22,23)
InChIKeyAALWKNHRHVLZLR-UHFFFAOYSA-N
XLogP2.25
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 52.25
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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Related Compounds

1-cyclopentyl-2-ethyl-4-methyl-7-(4-morpholin-4-ylanilino)pyrimido[5,4-e][1,2,4]triazin-3-one
CID 69187487
(6aR)-5-methyl-2-(4-morpholin-4-ylanilino)-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one
CID 118687440
5,11-dimethyl-2-[4-(4-morpholin-4-ylpiperidin-1-yl)anilino]pyrimido[4,5-b][1,4]benzodiazepin-6-one
CID 118684153
5,11-dimethyl-3-(3-morpholin-4-ylanilino)pyrimido[5,4-b][1,4]benzodiazepin-6-one
CID 86268637
1-[3-[[5-methyl-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 117090981
4-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 123331778
7-(3-chloro-4-morpholin-4-ylanilino)-1-cyclopentyl-2-ethyl-4-methylpyrimido[5,4-e][1,2,4]triazin-3-one
CID 69188280
2-[4-(4-ethylpiperazin-1-yl)anilino]-5-methyl-6a,7-dihydroindolo[2,1-h]pteridin-6-one
CID 155313075
1-[5-methyl-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]piperidine-4-carboxamide
CID 175051418
3-heptan-2-yl-N-(4-morpholin-4-ylphenyl)triazolo[4,5-d]pyrimidin-5-amine
CID 71049008
N-(4-morpholin-4-ylphenyl)-4-(1-propylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine
CID 67445017
8-cyclopentyl-2-(4-methoxyanilino)-5-methyl-7H-pteridin-6-one
CID 162677091

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(4-morpholin-4-ylanilino)-8-propyl-7H-pteridin-6-one?
The IUPAC name of 5-methyl-2-(4-morpholin-4-ylanilino)-8-propyl-7H-pteridin-6-one (CID 129212841) is 5-methyl-2-(4-morpholin-4-ylanilino)-8-propyl-7H-pteridin-6-one.
What is the SMILES notation for 5-methyl-2-(4-morpholin-4-ylanilino)-8-propyl-7H-pteridin-6-one?
The canonical SMILES for 5-methyl-2-(4-morpholin-4-ylanilino)-8-propyl-7H-pteridin-6-one is CCCN1CC(=O)N(C)c2cnc(Nc3ccc(N4CCOCC4)cc3)nc21.
What is the InChIKey of 5-methyl-2-(4-morpholin-4-ylanilino)-8-propyl-7H-pteridin-6-one?
The InChIKey is AALWKNHRHVLZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-3-8-26-14-18(27)24(2)17-13-21-20(23-19(17)26)22-15-4-6-16(7-5-15)25-9-11-28-12-10-25/h4-7,13H,3,8-12,14H2,1-2H3,(H,21,22,23).
What are the key properties of 5-methyl-2-(4-morpholin-4-ylanilino)-8-propyl-7H-pteridin-6-one?
5-methyl-2-(4-morpholin-4-ylanilino)-8-propyl-7H-pteridin-6-one has a molecular weight of 382.47 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4-morpholin-4-ylanilino)-8-propyl-7H-pteridin-6-one is sourced from PubChem (CID 129212841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).