1-[[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methylimino]-2,3-dihydroinden-4-ol

C24H31N5O4 — CID 58234827

IUPAC1-[[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methylimino]-2,3-dihydroinden-4-ol
SMILESOc1cccc2c1CC/C2=N\Cc1cc(N2CCOCC2)nc(OCCN2CCOCC2)n1
InChIInChI=1S/C24H31N5O4/c30-22-3-1-2-19-20(22)4-5-21(19)25-17-18-16-23(29-9-13-32-14-10-29)27-24(26-18)33-15-8-28-6-11-31-12-7-28/h1-3,16,30H,4-15,17H2/b25-21+
InChIKeyWBWVZICJNWBQEU-NJNXFGOHSA-N
MW453.54 g/mol
LogP1.67
Rot. Bonds7

About 1-[[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methylimino]-2,3-dihydroinden-4-ol

1-[[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methylimino]-2,3-dihydroinden-4-ol (PubChem CID 58234827) has the molecular formula C24H31N5O4 and a molecular weight of 453.54 g/mol. Its IUPAC name is 1-[[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methylimino]-2,3-dihydroinden-4-ol.

Molecular Properties

Compound Name1-[[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methylimino]-2,3-dihydroinden-4-ol
PubChem CID58234827
Molecular FormulaC24H31N5O4
Molecular Weight453.54 g/mol
Exact Mass453.24
IUPAC Name1-[[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methylimino]-2,3-dihydroinden-4-ol
SMILESOc1cccc2c1CC/C2=N\Cc1cc(N2CCOCC2)nc(OCCN2CCOCC2)n1
InChIInChI=1S/C24H31N5O4/c30-22-3-1-2-19-20(22)4-5-21(19)25-17-18-16-23(29-9-13-32-14-10-29)27-24(26-18)33-15-8-28-6-11-31-12-7-28/h1-3,16,30H,4-15,17H2/b25-21+
InChIKeyWBWVZICJNWBQEU-NJNXFGOHSA-N
XLogP1.67
TPSA92.54 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(5E)-5-[[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazinylidene]-7,8-dihydro-6H-naphthalen-1-ol
CID 58085757
[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methanamine
CID 58531807
5-methyl-3-[[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methylimino]-1H-inden-2-one
CID 58531811
(1E)-1-[[6-(dipropylamino)-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazinylidene]-2,3-dihydroinden-4-ol;ethane
CID 143341593
6-methyl-N-[[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methyl]chromen-4-imine
CID 58234816
(3,4-dimethylphenyl)-[[6-morpholin-4-yl-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]methyl]diazene
CID 91029551
1H-indol-3-yl-[[6-morpholin-4-yl-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]methyl]diazene
CID 136660451
(3E)-3-[[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazinylidene]-1-benzofuran-6-ol
CID 135401554
N-[(5-fluoro-2,3-dihydroinden-1-ylidene)amino]-6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-amine
CID 73203161
N-[(E)-(6-methoxy-2,3-dihydroinden-1-ylidene)amino]-6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-amine
CID 58085758
1-(2H-chromen-4-yl)-2-[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazine
CID 91071322
1-(3-bromophenyl)-3-[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]urea
CID 59258726

Frequently Asked Questions

What is the IUPAC name of 1-[[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methylimino]-2,3-dihydroinden-4-ol?
The IUPAC name of 1-[[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methylimino]-2,3-dihydroinden-4-ol (CID 58234827) is 1-[[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methylimino]-2,3-dihydroinden-4-ol.
What is the SMILES notation for 1-[[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methylimino]-2,3-dihydroinden-4-ol?
The canonical SMILES for 1-[[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methylimino]-2,3-dihydroinden-4-ol is Oc1cccc2c1CC/C2=N\Cc1cc(N2CCOCC2)nc(OCCN2CCOCC2)n1.
What is the InChIKey of 1-[[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methylimino]-2,3-dihydroinden-4-ol?
The InChIKey is WBWVZICJNWBQEU-NJNXFGOHSA-N. The full InChI is InChI=1S/C24H31N5O4/c30-22-3-1-2-19-20(22)4-5-21(19)25-17-18-16-23(29-9-13-32-14-10-29)27-24(26-18)33-15-8-28-6-11-31-12-7-28/h1-3,16,30H,4-15,17H2/b25-21+.
What are the key properties of 1-[[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methylimino]-2,3-dihydroinden-4-ol?
1-[[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methylimino]-2,3-dihydroinden-4-ol has a molecular weight of 453.54 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methylimino]-2,3-dihydroinden-4-ol is sourced from PubChem (CID 58234827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).