4-[6-(dimethylamino)pyrimidin-4-yl]-N-(2-ethylsulfanylethyl)benzamide

C17H22N4OS — CID 119074661

IUPAC4-[6-(dimethylamino)pyrimidin-4-yl]-N-(2-ethylsulfanylethyl)benzamide
SMILESCCSCCNC(=O)c1ccc(-c2cc(N(C)C)ncn2)cc1
InChIInChI=1S/C17H22N4OS/c1-4-23-10-9-18-17(22)14-7-5-13(6-8-14)15-11-16(21(2)3)20-12-19-15/h5-8,11-12H,4,9-10H2,1-3H3,(H,18,22)
InChIKeyYIDXILNIICGHLK-UHFFFAOYSA-N
MW330.46 g/mol
LogP2.69
Rot. Bonds7

About 4-[6-(dimethylamino)pyrimidin-4-yl]-N-(2-ethylsulfanylethyl)benzamide

4-[6-(dimethylamino)pyrimidin-4-yl]-N-(2-ethylsulfanylethyl)benzamide (PubChem CID 119074661) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is 4-[6-(dimethylamino)pyrimidin-4-yl]-N-(2-ethylsulfanylethyl)benzamide.

Molecular Properties

Compound Name4-[6-(dimethylamino)pyrimidin-4-yl]-N-(2-ethylsulfanylethyl)benzamide
PubChem CID119074661
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Name4-[6-(dimethylamino)pyrimidin-4-yl]-N-(2-ethylsulfanylethyl)benzamide
SMILESCCSCCNC(=O)c1ccc(-c2cc(N(C)C)ncn2)cc1
InChIInChI=1S/C17H22N4OS/c1-4-23-10-9-18-17(22)14-7-5-13(6-8-14)15-11-16(21(2)3)20-12-19-15/h5-8,11-12H,4,9-10H2,1-3H3,(H,18,22)
InChIKeyYIDXILNIICGHLK-UHFFFAOYSA-N
XLogP2.69
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(diethylamino)ethyl]-4-[6-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]pyrimidin-4-yl]benzamide
CID 11081863
N-(2-methoxyethyl)-4-[6-[4-(2-methoxyethylcarbamoyl)phenyl]pyrimidin-4-yl]benzamide
CID 11080574
N-[2-(2-ethylsulfanylethylamino)ethyl]-4-methylbenzamide
CID 104668564
4-[6-(dimethylamino)pyrimidin-4-yl]-N-[(1S)-2-methyl-1-pyridin-2-ylpropyl]benzamide
CID 126447692
4-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-N-(2-ethylsulfanylethyl)benzamide
CID 122571299
4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-propylbenzamide
CID 50783837
4-(4-methyl-2-pyridinyl)-N-propylbenzamide
CID 59673771
2-ethyl-N-(2-ethylsulfanylethyl)-6-oxo-1H-pyridine-4-carboxamide
CID 74247398
N-[2-(dimethylamino)ethyl]-4-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzamide
CID 59983044
N-[2-(dimethylamino)ethyl]-4-(2,6-diphenyl-4-pyridinyl)benzamide;dihydrochloride
CID 67598283
2-(dimethylamino)-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide
CID 84574435
N-(3-methylbutyl)-4-(6-phenoxypyrimidin-4-yl)benzamide
CID 53021164

Frequently Asked Questions

What is the IUPAC name of 4-[6-(dimethylamino)pyrimidin-4-yl]-N-(2-ethylsulfanylethyl)benzamide?
The IUPAC name of 4-[6-(dimethylamino)pyrimidin-4-yl]-N-(2-ethylsulfanylethyl)benzamide (CID 119074661) is 4-[6-(dimethylamino)pyrimidin-4-yl]-N-(2-ethylsulfanylethyl)benzamide.
What is the SMILES notation for 4-[6-(dimethylamino)pyrimidin-4-yl]-N-(2-ethylsulfanylethyl)benzamide?
The canonical SMILES for 4-[6-(dimethylamino)pyrimidin-4-yl]-N-(2-ethylsulfanylethyl)benzamide is CCSCCNC(=O)c1ccc(-c2cc(N(C)C)ncn2)cc1.
What is the InChIKey of 4-[6-(dimethylamino)pyrimidin-4-yl]-N-(2-ethylsulfanylethyl)benzamide?
The InChIKey is YIDXILNIICGHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-4-23-10-9-18-17(22)14-7-5-13(6-8-14)15-11-16(21(2)3)20-12-19-15/h5-8,11-12H,4,9-10H2,1-3H3,(H,18,22).
What are the key properties of 4-[6-(dimethylamino)pyrimidin-4-yl]-N-(2-ethylsulfanylethyl)benzamide?
4-[6-(dimethylamino)pyrimidin-4-yl]-N-(2-ethylsulfanylethyl)benzamide has a molecular weight of 330.46 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(dimethylamino)pyrimidin-4-yl]-N-(2-ethylsulfanylethyl)benzamide is sourced from PubChem (CID 119074661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).