methanamine;methanol;3-methoxy-5-[2-[2-(4-morpholin-4-ylanilino)pyrimidin-5-yl]ethyl]benzaldehyde

C26H35N5O4 — CID 144699807

IUPACmethanamine;methanol;3-methoxy-5-[2-[2-(4-morpholin-4-ylanilino)pyrimidin-5-yl]ethyl]benzaldehyde
SMILESCN.CO.COc1cc(C=O)cc(CCc2cnc(Nc3ccc(N4CCOCC4)cc3)nc2)c1
InChIInChI=1S/C24H26N4O3.CH5N.CH4O/c1-30-23-13-18(12-20(14-23)17-29)2-3-19-15-25-24(26-16-19)27-21-4-6-22(7-5-21)28-8-10-31-11-9-28;2*1-2/h4-7,12-17H,2-3,8-11H2,1H3,(H,25,26,27);2H2,1H3;2H,1H3
InChIKeyWPXLPSXVKYMDKT-UHFFFAOYSA-N
MW481.60 g/mol
LogP2.85
Rot. Bonds8

About methanamine;methanol;3-methoxy-5-[2-[2-(4-morpholin-4-ylanilino)pyrimidin-5-yl]ethyl]benzaldehyde

methanamine;methanol;3-methoxy-5-[2-[2-(4-morpholin-4-ylanilino)pyrimidin-5-yl]ethyl]benzaldehyde (PubChem CID 144699807) has the molecular formula C26H35N5O4 and a molecular weight of 481.60 g/mol. Its IUPAC name is methanamine;methanol;3-methoxy-5-[2-[2-(4-morpholin-4-ylanilino)pyrimidin-5-yl]ethyl]benzaldehyde.

Molecular Properties

Compound Namemethanamine;methanol;3-methoxy-5-[2-[2-(4-morpholin-4-ylanilino)pyrimidin-5-yl]ethyl]benzaldehyde
PubChem CID144699807
Molecular FormulaC26H35N5O4
Molecular Weight481.60 g/mol
Exact Mass481.27
IUPAC Namemethanamine;methanol;3-methoxy-5-[2-[2-(4-morpholin-4-ylanilino)pyrimidin-5-yl]ethyl]benzaldehyde
SMILESCN.CO.COc1cc(C=O)cc(CCc2cnc(Nc3ccc(N4CCOCC4)cc3)nc2)c1
InChIInChI=1S/C24H26N4O3.CH5N.CH4O/c1-30-23-13-18(12-20(14-23)17-29)2-3-19-15-25-24(26-16-19)27-21-4-6-22(7-5-21)28-8-10-31-11-9-28;2*1-2/h4-7,12-17H,2-3,8-11H2,1H3,(H,25,26,27);2H2,1H3;2H,1H3
InChIKeyWPXLPSXVKYMDKT-UHFFFAOYSA-N
XLogP2.85
TPSA122.83 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-5-[(E)-2-[2-(4-piperazin-1-ylanilino)pyrimidin-5-yl]ethenyl]benzaldehyde
CID 144699776
4-[2-[2-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-5-yl]ethyl]-1-benzofuran-6-carbaldehyde
CID 144699676
methyl 3-[(E)-2-[2-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-5-yl]ethenyl]-5-methoxybenzoate
CID 90419055
2-[(3-methoxyphenyl)methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 2404248
methyl 2-[[5-(aminomethyl)-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]propanoate
CID 118626972
1-[3-[2-[2-(4-chloroanilino)pyrimidin-5-yl]ethyl]-5-methoxyphenyl]-2-methoxyethanone
CID 162164185
2-methoxy-1-[3-methoxy-5-[2-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]ethyl]phenyl]ethanone
CID 162168380
5-[2-(4-chlorophenyl)ethyl]-4-(2-methoxy-4-methylphenoxy)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 147209298
2-methoxy-5-[[5-(3-morpholin-4-ylphenoxy)pyrimidin-2-yl]amino]benzonitrile
CID 54760483
2-(4-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-5-carboxamide
CID 109269659
6-ethynyl-7-methoxy-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine
CID 25018564
[3-[[2-(3,5-dimorpholin-4-ylanilino)pyrimidin-4-yl]-methylamino]-5-methoxyphenyl]methanol
CID 25015026

Frequently Asked Questions

What is the IUPAC name of methanamine;methanol;3-methoxy-5-[2-[2-(4-morpholin-4-ylanilino)pyrimidin-5-yl]ethyl]benzaldehyde?
The IUPAC name of methanamine;methanol;3-methoxy-5-[2-[2-(4-morpholin-4-ylanilino)pyrimidin-5-yl]ethyl]benzaldehyde (CID 144699807) is methanamine;methanol;3-methoxy-5-[2-[2-(4-morpholin-4-ylanilino)pyrimidin-5-yl]ethyl]benzaldehyde.
What is the SMILES notation for methanamine;methanol;3-methoxy-5-[2-[2-(4-morpholin-4-ylanilino)pyrimidin-5-yl]ethyl]benzaldehyde?
The canonical SMILES for methanamine;methanol;3-methoxy-5-[2-[2-(4-morpholin-4-ylanilino)pyrimidin-5-yl]ethyl]benzaldehyde is CN.CO.COc1cc(C=O)cc(CCc2cnc(Nc3ccc(N4CCOCC4)cc3)nc2)c1.
What is the InChIKey of methanamine;methanol;3-methoxy-5-[2-[2-(4-morpholin-4-ylanilino)pyrimidin-5-yl]ethyl]benzaldehyde?
The InChIKey is WPXLPSXVKYMDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3.CH5N.CH4O/c1-30-23-13-18(12-20(14-23)17-29)2-3-19-15-25-24(26-16-19)27-21-4-6-22(7-5-21)28-8-10-31-11-9-28;2*1-2/h4-7,12-17H,2-3,8-11H2,1H3,(H,25,26,27);2H2,1H3;2H,1H3.
What are the key properties of methanamine;methanol;3-methoxy-5-[2-[2-(4-morpholin-4-ylanilino)pyrimidin-5-yl]ethyl]benzaldehyde?
methanamine;methanol;3-methoxy-5-[2-[2-(4-morpholin-4-ylanilino)pyrimidin-5-yl]ethyl]benzaldehyde has a molecular weight of 481.60 g/mol, XLogP of 2.85, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;methanol;3-methoxy-5-[2-[2-(4-morpholin-4-ylanilino)pyrimidin-5-yl]ethyl]benzaldehyde is sourced from PubChem (CID 144699807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).