N-(benzylideneamino)-2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetamide

C18H21N5O2S — CID 4684327

IUPACN-(benzylideneamino)-2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1cc(N2CCOCC2)nc(SCC(=O)NN=Cc2ccccc2)n1
InChIInChI=1S/C18H21N5O2S/c1-14-11-16(23-7-9-25-10-8-23)21-18(20-14)26-13-17(24)22-19-12-15-5-3-2-4-6-15/h2-6,11-12H,7-10,13H2,1H3,(H,22,24)
InChIKeyCMFPMRUAIPVYOO-UHFFFAOYSA-N
MW371.47 g/mol
LogP1.86
Rot. Bonds6

About N-(benzylideneamino)-2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetamide

N-(benzylideneamino)-2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 4684327) has the molecular formula C18H21N5O2S and a molecular weight of 371.47 g/mol. Its IUPAC name is N-(benzylideneamino)-2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(benzylideneamino)-2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetamide
PubChem CID4684327
Molecular FormulaC18H21N5O2S
Molecular Weight371.47 g/mol
Exact Mass371.14
IUPAC NameN-(benzylideneamino)-2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1cc(N2CCOCC2)nc(SCC(=O)NN=Cc2ccccc2)n1
InChIInChI=1S/C18H21N5O2S/c1-14-11-16(23-7-9-25-10-8-23)21-18(20-14)26-13-17(24)22-19-12-15-5-3-2-4-6-15/h2-6,11-12H,7-10,13H2,1H3,(H,22,24)
InChIKeyCMFPMRUAIPVYOO-UHFFFAOYSA-N
XLogP1.86
TPSA79.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-benzylideneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 6866423
1-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylpropan-2-one
CID 4580656
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)sulfanylacetamide
CID 135606852
N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 51432860
N-[(Z)-benzylideneamino]-2-(6-methylpyrimidin-4-yl)sulfanylacetamide
CID 6180869
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 5437380
2-(4-methyl-6-methylsulfanylpyrimidin-2-yl)sulfanyl-N-[(4-methylphenyl)methylideneamino]acetamide
CID 5081435
2-(4,6-dimorpholin-4-ylpyrimidin-2-yl)sulfanylacetic acid
CID 23993191
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 6866780
4-[6-methyl-2-[6-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylhexylsulfanyl]pyrimidin-4-yl]morpholine
CID 14397680
2-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanyl-1-phenylethanone
CID 865548
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 136661274

Frequently Asked Questions

What is the IUPAC name of N-(benzylideneamino)-2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-(benzylideneamino)-2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetamide (CID 4684327) is N-(benzylideneamino)-2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(benzylideneamino)-2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(benzylideneamino)-2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetamide is Cc1cc(N2CCOCC2)nc(SCC(=O)NN=Cc2ccccc2)n1.
What is the InChIKey of N-(benzylideneamino)-2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is CMFPMRUAIPVYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2S/c1-14-11-16(23-7-9-25-10-8-23)21-18(20-14)26-13-17(24)22-19-12-15-5-3-2-4-6-15/h2-6,11-12H,7-10,13H2,1H3,(H,22,24).
What are the key properties of N-(benzylideneamino)-2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetamide?
N-(benzylideneamino)-2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 371.47 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylideneamino)-2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 4684327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).