N-[(Z)-(4-bromophenyl)methylideneamino]-2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyacetamide

C15H15BrN4O2S — CID 5457690

IUPACN-[(Z)-(4-bromophenyl)methylideneamino]-2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyacetamide
SMILESCSc1nc(C)cc(OCC(=O)N/N=C\c2ccc(Br)cc2)n1
InChIInChI=1S/C15H15BrN4O2S/c1-10-7-14(19-15(18-10)23-2)22-9-13(21)20-17-8-11-3-5-12(16)6-4-11/h3-8H,9H2,1-2H3,(H,20,21)/b17-8-
InChIKeyXPNVYAXJUYMTPW-IUXPMGMMSA-N
MW395.28 g/mol
LogP2.80
Rot. Bonds6

About N-[(Z)-(4-bromophenyl)methylideneamino]-2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyacetamide

N-[(Z)-(4-bromophenyl)methylideneamino]-2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyacetamide (PubChem CID 5457690) has the molecular formula C15H15BrN4O2S and a molecular weight of 395.28 g/mol. Its IUPAC name is N-[(Z)-(4-bromophenyl)methylideneamino]-2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(Z)-(4-bromophenyl)methylideneamino]-2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyacetamide
PubChem CID5457690
Molecular FormulaC15H15BrN4O2S
Molecular Weight395.28 g/mol
Exact Mass394.01
IUPAC NameN-[(Z)-(4-bromophenyl)methylideneamino]-2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyacetamide
SMILESCSc1nc(C)cc(OCC(=O)N/N=C\c2ccc(Br)cc2)n1
InChIInChI=1S/C15H15BrN4O2S/c1-10-7-14(19-15(18-10)23-2)22-9-13(21)20-17-8-11-3-5-12(16)6-4-11/h3-8H,9H2,1-2H3,(H,20,21)/b17-8-
InChIKeyXPNVYAXJUYMTPW-IUXPMGMMSA-N
XLogP2.80
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.28
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(Z)-(4-bromophenyl)methylideneamino]-2-(2-ethylsulfanyl-6-methylpyrimidin-4-yl)oxyacetamide
CID 6272289
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[2-[2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-yl]oxyacetamide
CID 135607054
N-[(3-bromophenyl)methylideneamino]-2-[2-(dimethylamino)-6-methylpyrimidin-4-yl]oxyacetamide
CID 4161849
2-(4-bromophenoxy)-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide
CID 5427428
2-(6-bromonaphthalen-2-yl)oxy-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]acetamide
CID 164664824
N-[(Z)-(4-bromophenyl)methylideneamino]-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 6308194
N-[(4-bromophenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 3610097
2-(2-bromo-4-methylphenoxy)-N-[[4-[[[2-(2-bromo-4-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 5087700
N-[(E)-(4-bromophenyl)methylideneamino]-2-(2,3-dimethylphenoxy)acetamide
CID 19182261
2-(4-methyl-6-methylsulfanylpyrimidin-2-yl)sulfanyl-N-[(4-methylphenyl)methylideneamino]acetamide
CID 5081435
2-(1,6-dibromonaphthalen-2-yl)oxy-N-[(4-methylsulfanylphenyl)methylideneamino]acetamide
CID 3350501
2-(4-bromophenoxy)-N-[(Z)-(4-butoxyphenyl)methylideneamino]acetamide
CID 6043296

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-bromophenyl)methylideneamino]-2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyacetamide?
The IUPAC name of N-[(Z)-(4-bromophenyl)methylideneamino]-2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyacetamide (CID 5457690) is N-[(Z)-(4-bromophenyl)methylideneamino]-2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyacetamide.
What is the SMILES notation for N-[(Z)-(4-bromophenyl)methylideneamino]-2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyacetamide?
The canonical SMILES for N-[(Z)-(4-bromophenyl)methylideneamino]-2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyacetamide is CSc1nc(C)cc(OCC(=O)N/N=C\c2ccc(Br)cc2)n1.
What is the InChIKey of N-[(Z)-(4-bromophenyl)methylideneamino]-2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyacetamide?
The InChIKey is XPNVYAXJUYMTPW-IUXPMGMMSA-N. The full InChI is InChI=1S/C15H15BrN4O2S/c1-10-7-14(19-15(18-10)23-2)22-9-13(21)20-17-8-11-3-5-12(16)6-4-11/h3-8H,9H2,1-2H3,(H,20,21)/b17-8-.
What are the key properties of N-[(Z)-(4-bromophenyl)methylideneamino]-2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyacetamide?
N-[(Z)-(4-bromophenyl)methylideneamino]-2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyacetamide has a molecular weight of 395.28 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-bromophenyl)methylideneamino]-2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyacetamide is sourced from PubChem (CID 5457690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).