N-methoxy-1-[3-(pyrimidin-2-ylsulfanylmethyl)phenyl]ethanimine

C14H15N3OS — CID 72609421

IUPACN-methoxy-1-[3-(pyrimidin-2-ylsulfanylmethyl)phenyl]ethanimine
SMILESCON=C(C)c1cccc(CSc2ncccn2)c1
InChIInChI=1S/C14H15N3OS/c1-11(17-18-2)13-6-3-5-12(9-13)10-19-14-15-7-4-8-16-14/h3-9H,10H2,1-2H3
InChIKeyWCEAAZWRAAMJIQ-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.14
Rot. Bonds5

About N-methoxy-1-[3-(pyrimidin-2-ylsulfanylmethyl)phenyl]ethanimine

N-methoxy-1-[3-(pyrimidin-2-ylsulfanylmethyl)phenyl]ethanimine (PubChem CID 72609421) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is N-methoxy-1-[3-(pyrimidin-2-ylsulfanylmethyl)phenyl]ethanimine.

Molecular Properties

Compound NameN-methoxy-1-[3-(pyrimidin-2-ylsulfanylmethyl)phenyl]ethanimine
PubChem CID72609421
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC NameN-methoxy-1-[3-(pyrimidin-2-ylsulfanylmethyl)phenyl]ethanimine
SMILESCON=C(C)c1cccc(CSc2ncccn2)c1
InChIInChI=1S/C14H15N3OS/c1-11(17-18-2)13-6-3-5-12(9-13)10-19-14-15-7-4-8-16-14/h3-9H,10H2,1-2H3
InChIKeyWCEAAZWRAAMJIQ-UHFFFAOYSA-N
XLogP3.14
TPSA47.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

3-(pyrimidin-2-ylsulfanylmethyl)benzohydrazide
CID 63581182
[2-fluoro-5-(pyrimidin-2-ylsulfanylmethyl)phenyl]boronic acid
CID 54969432
N-methoxy-1-pyridin-3-ylethanimine
CID 57395319
1-[3-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenyl]methyl]phenyl]-N-methoxyethanimine
CID 157254150
2-[(4-iodophenyl)methylsulfanyl]pyrimidine
CID 65490348
2-(pyridin-4-ylmethylsulfanyl)pyrimidine
CID 13232441
N-methoxy-1-pyridin-2-ylethanimine
CID 87078601
(E)-1-(3,4-dichlorophenyl)-N-methoxyethanimine
CID 52540048
methyl (2E)-2-methoxyimino-2-[3-[[5-[(4-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]phenyl]acetate
CID 175121576
[4-(pyrimidin-2-ylsulfanylmethyl)-2-pyridinyl]hydrazine
CID 62463993
methyl 2-benzylsulfanylpyrimidine-5-carboxylate
CID 57450173
2-[(4-bromophenyl)methylsulfanyl]pyrimidine
CID 19727890

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-[3-(pyrimidin-2-ylsulfanylmethyl)phenyl]ethanimine?
The IUPAC name of N-methoxy-1-[3-(pyrimidin-2-ylsulfanylmethyl)phenyl]ethanimine (CID 72609421) is N-methoxy-1-[3-(pyrimidin-2-ylsulfanylmethyl)phenyl]ethanimine.
What is the SMILES notation for N-methoxy-1-[3-(pyrimidin-2-ylsulfanylmethyl)phenyl]ethanimine?
The canonical SMILES for N-methoxy-1-[3-(pyrimidin-2-ylsulfanylmethyl)phenyl]ethanimine is CON=C(C)c1cccc(CSc2ncccn2)c1.
What is the InChIKey of N-methoxy-1-[3-(pyrimidin-2-ylsulfanylmethyl)phenyl]ethanimine?
The InChIKey is WCEAAZWRAAMJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-11(17-18-2)13-6-3-5-12(9-13)10-19-14-15-7-4-8-16-14/h3-9H,10H2,1-2H3.
What are the key properties of N-methoxy-1-[3-(pyrimidin-2-ylsulfanylmethyl)phenyl]ethanimine?
N-methoxy-1-[3-(pyrimidin-2-ylsulfanylmethyl)phenyl]ethanimine has a molecular weight of 273.36 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-[3-(pyrimidin-2-ylsulfanylmethyl)phenyl]ethanimine is sourced from PubChem (CID 72609421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).