N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)sulfanylacetamide

C18H21N5O3S — CID 135606852

IUPACN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)sulfanylacetamide
SMILESCc1cc(SCC(=O)N/N=C/c2ccccc2O)nc(N2CCOCC2)n1
InChIInChI=1S/C18H21N5O3S/c1-13-10-17(21-18(20-13)23-6-8-26-9-7-23)27-12-16(25)22-19-11-14-4-2-3-5-15(14)24/h2-5,10-11,24H,6-9,12H2,1H3,(H,22,25)/b19-11+
InChIKeyXMOGODITKCJWBW-YBFXNURJSA-N
MW387.47 g/mol
LogP1.57
Rot. Bonds6

About N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)sulfanylacetamide

N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)sulfanylacetamide (PubChem CID 135606852) has the molecular formula C18H21N5O3S and a molecular weight of 387.47 g/mol. Its IUPAC name is N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)sulfanylacetamide
PubChem CID135606852
Molecular FormulaC18H21N5O3S
Molecular Weight387.47 g/mol
Exact Mass387.14
IUPAC NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)sulfanylacetamide
SMILESCc1cc(SCC(=O)N/N=C/c2ccccc2O)nc(N2CCOCC2)n1
InChIInChI=1S/C18H21N5O3S/c1-13-10-17(21-18(20-13)23-6-8-26-9-7-23)27-12-16(25)22-19-11-14-4-2-3-5-15(14)24/h2-5,10-11,24H,6-9,12H2,1H3,(H,22,25)/b19-11+
InChIKeyXMOGODITKCJWBW-YBFXNURJSA-N
XLogP1.57
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(dimethylamino)phenyl]methylideneamino]-2-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)sulfanylacetamide
CID 5087294
N-(benzylideneamino)-2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetamide
CID 4684327
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 136661274
2-[(4,5-dichloro-2-pyridinyl)sulfanyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135716635
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)oxyacetamide
CID 135606981
N-[(Z)-(2-fluorophenyl)methylideneamino]-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 6165117
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)sulfanylacetamide
CID 135716269
N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 137122737
2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(2-hydroxyphenyl)methylideneamino]acetamide
CID 135538144
2-[[[4-(2,5-dimethylanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
CID 3098991
N-[(Z)-(2-methoxyphenyl)methylideneamino]-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 6279740
2-[(Z)-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]-5-propoxyphenol
CID 136714352

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)sulfanylacetamide?
The IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)sulfanylacetamide (CID 135606852) is N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)sulfanylacetamide?
The canonical SMILES for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)sulfanylacetamide is Cc1cc(SCC(=O)N/N=C/c2ccccc2O)nc(N2CCOCC2)n1.
What is the InChIKey of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)sulfanylacetamide?
The InChIKey is XMOGODITKCJWBW-YBFXNURJSA-N. The full InChI is InChI=1S/C18H21N5O3S/c1-13-10-17(21-18(20-13)23-6-8-26-9-7-23)27-12-16(25)22-19-11-14-4-2-3-5-15(14)24/h2-5,10-11,24H,6-9,12H2,1H3,(H,22,25)/b19-11+.
What are the key properties of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)sulfanylacetamide?
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)sulfanylacetamide has a molecular weight of 387.47 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)sulfanylacetamide is sourced from PubChem (CID 135606852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).