N-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzamide

C14H15N3OS — CID 741406

IUPACN-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzamide
SMILESCc1cc(C)nc(SCNC(=O)c2ccccc2)n1
InChIInChI=1S/C14H15N3OS/c1-10-8-11(2)17-14(16-10)19-9-15-13(18)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,15,18)
InChIKeyZXUIXHZEVWGUHY-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.57
Rot. Bonds4

About N-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzamide

N-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzamide (PubChem CID 741406) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is N-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzamide.

Molecular Properties

Compound NameN-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzamide
PubChem CID741406
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC NameN-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzamide
SMILESCc1cc(C)nc(SCNC(=O)c2ccccc2)n1
InChIInChI=1S/C14H15N3OS/c1-10-8-11(2)17-14(16-10)19-9-15-13(18)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,15,18)
InChIKeyZXUIXHZEVWGUHY-UHFFFAOYSA-N
XLogP2.57
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzamide
CID 914061
N-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-fluorobenzamide
CID 664776
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N'-(1-phenylethenyl)acetohydrazide
CID 5143466
[[2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenylethylidene]amino]urea
CID 912143
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenylbutan-1-one
CID 62306177
N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]benzamide
CID 13114245
N-[(1S)-1-(2-ethylsulfanyl-6-methylpyrimidin-4-yl)oxy-2-oxo-2-phenylethyl]benzamide
CID 7537364
N-(2-benzamidoethyl)-2-methylquinoline-4-carboxamide
CID 38202874
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(3-methylphenyl)ethanone
CID 55058139
2-benzylsulfanyl-4,6-dimethylpyrimidine
CID 716895
N'-[2-(4-benzoylphenoxy)acetyl]-4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzohydrazide
CID 16546797
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-(3-methyl-1-phenylbutylidene)amino]acetamide
CID 42996066

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzamide?
The IUPAC name of N-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzamide (CID 741406) is N-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzamide.
What is the SMILES notation for N-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzamide?
The canonical SMILES for N-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzamide is Cc1cc(C)nc(SCNC(=O)c2ccccc2)n1.
What is the InChIKey of N-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzamide?
The InChIKey is ZXUIXHZEVWGUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-10-8-11(2)17-14(16-10)19-9-15-13(18)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,15,18).
What are the key properties of N-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzamide?
N-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzamide has a molecular weight of 273.36 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzamide is sourced from PubChem (CID 741406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).