N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-methylsulfanylbenzamide

C16H22N6OS — CID 121137894

IUPACN-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)NCc2nc(N(C)C)nc(N(C)C)n2)cc1
InChIInChI=1S/C16H22N6OS/c1-21(2)15-18-13(19-16(20-15)22(3)4)10-17-14(23)11-6-8-12(24-5)9-7-11/h6-9H,10H2,1-5H3,(H,17,23)
InChIKeyBLMWFFJIWPVUPT-UHFFFAOYSA-N
MW346.46 g/mol
LogP1.66
Rot. Bonds6

About N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-methylsulfanylbenzamide

N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-methylsulfanylbenzamide (PubChem CID 121137894) has the molecular formula C16H22N6OS and a molecular weight of 346.46 g/mol. Its IUPAC name is N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-methylsulfanylbenzamide
PubChem CID121137894
Molecular FormulaC16H22N6OS
Molecular Weight346.46 g/mol
Exact Mass346.16
IUPAC NameN-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)NCc2nc(N(C)C)nc(N(C)C)n2)cc1
InChIInChI=1S/C16H22N6OS/c1-21(2)15-18-13(19-16(20-15)22(3)4)10-17-14(23)11-6-8-12(24-5)9-7-11/h6-9H,10H2,1-5H3,(H,17,23)
InChIKeyBLMWFFJIWPVUPT-UHFFFAOYSA-N
XLogP1.66
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-4-methylsulfanylbenzamide
CID 122356325
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 122253969
4-acetyl-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]benzamide
CID 122254637
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2,5-dimethylbenzamide
CID 122253963
4-methylsulfanyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide
CID 122318570
N-[(4-methylsulfanylphenyl)methyl]pyridine-4-carboxamide;hydrochloride
CID 110784452
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrazine-2-carboxamide
CID 122253972
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(2-chlorophenyl)acetamide
CID 121137847
2-[[2-[(4-methylsulfanylbenzoyl)amino]acetyl]amino]acetic acid
CID 43387687
4-acetamido-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 60574288
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-methylbenzamide
CID 91967035
4-acetyl-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]benzamide
CID 122322625

Frequently Asked Questions

What is the IUPAC name of N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-methylsulfanylbenzamide?
The IUPAC name of N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-methylsulfanylbenzamide (CID 121137894) is N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-methylsulfanylbenzamide.
What is the SMILES notation for N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-methylsulfanylbenzamide?
The canonical SMILES for N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-methylsulfanylbenzamide is CSc1ccc(C(=O)NCc2nc(N(C)C)nc(N(C)C)n2)cc1.
What is the InChIKey of N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-methylsulfanylbenzamide?
The InChIKey is BLMWFFJIWPVUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6OS/c1-21(2)15-18-13(19-16(20-15)22(3)4)10-17-14(23)11-6-8-12(24-5)9-7-11/h6-9H,10H2,1-5H3,(H,17,23).
What are the key properties of N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-methylsulfanylbenzamide?
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-methylsulfanylbenzamide has a molecular weight of 346.46 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-methylsulfanylbenzamide is sourced from PubChem (CID 121137894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).