N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-4-methylsulfanylbenzamide

C16H20N4OS — CID 122356325

IUPACN-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)Nc2c(C)nc(N(C)C)nc2C)cc1
InChIInChI=1S/C16H20N4OS/c1-10-14(11(2)18-16(17-10)20(3)4)19-15(21)12-6-8-13(22-5)9-7-12/h6-9H,1-5H3,(H,19,21)
InChIKeyDMTBJLZBICRSAK-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.13
Rot. Bonds4

About N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-4-methylsulfanylbenzamide

N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-4-methylsulfanylbenzamide (PubChem CID 122356325) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-4-methylsulfanylbenzamide
PubChem CID122356325
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC NameN-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)Nc2c(C)nc(N(C)C)nc2C)cc1
InChIInChI=1S/C16H20N4OS/c1-10-14(11(2)18-16(17-10)20(3)4)19-15(21)12-6-8-13(22-5)9-7-12/h6-9H,1-5H3,(H,19,21)
InChIKeyDMTBJLZBICRSAK-UHFFFAOYSA-N
XLogP3.13
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-methylsulfanylbenzamide
CID 121137894
N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-2,6-difluorobenzamide
CID 91968502
N-(4,6-dichloropyrimidin-5-yl)-4-methylsulfanylbenzamide
CID 114074697
N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 122356267
2-(difluoromethylsulfanyl)-N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]benzamide
CID 122356294
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-methylsulfanylbenzamide
CID 7565329
N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-1-benzofuran-2-carboxamide
CID 122356252
1-(4-tert-butylphenyl)-3-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]urea
CID 122356425
N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-2-(2-fluorophenyl)acetamide
CID 122356290
N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-4-methylbenzamide
CID 91969122
N-(4-iodophenyl)-4-methylsulfanylbenzamide
CID 8571979
N-[2-methyl-4-[3-methyl-4-[(4-methylsulfanylbenzoyl)amino]phenyl]phenyl]-4-methylsulfanylbenzamide
CID 43980967

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-4-methylsulfanylbenzamide?
The IUPAC name of N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-4-methylsulfanylbenzamide (CID 122356325) is N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-4-methylsulfanylbenzamide.
What is the SMILES notation for N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-4-methylsulfanylbenzamide?
The canonical SMILES for N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-4-methylsulfanylbenzamide is CSc1ccc(C(=O)Nc2c(C)nc(N(C)C)nc2C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-4-methylsulfanylbenzamide?
The InChIKey is DMTBJLZBICRSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-10-14(11(2)18-16(17-10)20(3)4)19-15(21)12-6-8-13(22-5)9-7-12/h6-9H,1-5H3,(H,19,21).
What are the key properties of N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-4-methylsulfanylbenzamide?
N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-4-methylsulfanylbenzamide has a molecular weight of 316.43 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-4-methylsulfanylbenzamide is sourced from PubChem (CID 122356325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).