4-(4-morpholin-4-ylanilino)-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one

C19H24N6O2 — CID 91961610

IUPAC4-(4-morpholin-4-ylanilino)-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one
SMILESCC(C)C1Nc2ncnc(Nc3ccc(N4CCOCC4)cc3)c2NC1=O
InChIInChI=1S/C19H24N6O2/c1-12(2)15-19(26)24-16-17(20-11-21-18(16)23-15)22-13-3-5-14(6-4-13)25-7-9-27-10-8-25/h3-6,11-12,15H,7-10H2,1-2H3,(H,24,26)(H2,20,21,22,23)
InChIKeyUYPKOLKFPHQMAZ-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.45
Rot. Bonds4

About 4-(4-morpholin-4-ylanilino)-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one

4-(4-morpholin-4-ylanilino)-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one (PubChem CID 91961610) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 4-(4-morpholin-4-ylanilino)-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one.

Molecular Properties

Compound Name4-(4-morpholin-4-ylanilino)-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one
PubChem CID91961610
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name4-(4-morpholin-4-ylanilino)-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one
SMILESCC(C)C1Nc2ncnc(Nc3ccc(N4CCOCC4)cc3)c2NC1=O
InChIInChI=1S/C19H24N6O2/c1-12(2)15-19(26)24-16-17(20-11-21-18(16)23-15)22-13-3-5-14(6-4-13)25-7-9-27-10-8-25/h3-6,11-12,15H,7-10H2,1-2H3,(H,24,26)(H2,20,21,22,23)
InChIKeyUYPKOLKFPHQMAZ-UHFFFAOYSA-N
XLogP2.45
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.45
H-Bond Donors ≤ 53
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

(7S)-7-[(1R)-1-hydroxyethyl]-4-(3-morpholin-4-ylpropylamino)-7,8-dihydro-5H-pteridin-6-one
CID 11823900
8-N-(4-morpholin-4-ylphenyl)-6-N-phenyl-9-propan-2-ylpurine-6,8-diamine
CID 117092748
ethane;6-methyl-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
CID 143267063
6-N-cyclopropyl-8-N-(4-morpholin-4-ylphenyl)-7H-purine-6,8-diamine
CID 117092148
4-chloro-6-(4-morpholin-4-ylanilino)pyrimidine-5-carbonitrile
CID 87644759
6-chloro-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 86649544
2-(4-hydroxypiperidin-1-yl)-4-(4-morpholin-4-ylanilino)-6H-pyrido[4,3-d]pyrimidin-5-one
CID 58494192
N-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 993401
N-(4-morpholin-4-ylphenyl)-9-propan-2-yl-8-(1,3,5-trimethylpyrazol-4-yl)purin-6-amine
CID 117081075
3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione
CID 2947390
3-bromo-5-chloro-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
CID 114837087
6-[4-(diethylamino)quinazolin-6-yl]-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
CID 68878121

Frequently Asked Questions

What is the IUPAC name of 4-(4-morpholin-4-ylanilino)-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one?
The IUPAC name of 4-(4-morpholin-4-ylanilino)-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one (CID 91961610) is 4-(4-morpholin-4-ylanilino)-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one.
What is the SMILES notation for 4-(4-morpholin-4-ylanilino)-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one?
The canonical SMILES for 4-(4-morpholin-4-ylanilino)-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one is CC(C)C1Nc2ncnc(Nc3ccc(N4CCOCC4)cc3)c2NC1=O.
What is the InChIKey of 4-(4-morpholin-4-ylanilino)-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one?
The InChIKey is UYPKOLKFPHQMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-12(2)15-19(26)24-16-17(20-11-21-18(16)23-15)22-13-3-5-14(6-4-13)25-7-9-27-10-8-25/h3-6,11-12,15H,7-10H2,1-2H3,(H,24,26)(H2,20,21,22,23).
What are the key properties of 4-(4-morpholin-4-ylanilino)-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one?
4-(4-morpholin-4-ylanilino)-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one has a molecular weight of 368.44 g/mol, XLogP of 2.45, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-morpholin-4-ylanilino)-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one is sourced from PubChem (CID 91961610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).