2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-benzyl-N-(3-methylphenyl)acetamide

C21H22N4OS — CID 40663508

IUPAC2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-benzyl-N-(3-methylphenyl)acetamide
SMILESCc1cccc(N(Cc2ccccc2)C(=O)CSc2nc(C)cc(N)n2)c1
InChIInChI=1S/C21H22N4OS/c1-15-7-6-10-18(11-15)25(13-17-8-4-3-5-9-17)20(26)14-27-21-23-16(2)12-19(22)24-21/h3-12H,13-14H2,1-2H3,(H2,22,23,24)
InChIKeyHPTZWVIALYHUPO-UHFFFAOYSA-N
MW378.50 g/mol
LogP4.00
Rot. Bonds6

About 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-benzyl-N-(3-methylphenyl)acetamide

2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-benzyl-N-(3-methylphenyl)acetamide (PubChem CID 40663508) has the molecular formula C21H22N4OS and a molecular weight of 378.50 g/mol. Its IUPAC name is 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-benzyl-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-benzyl-N-(3-methylphenyl)acetamide
PubChem CID40663508
Molecular FormulaC21H22N4OS
Molecular Weight378.50 g/mol
Exact Mass378.15
IUPAC Name2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-benzyl-N-(3-methylphenyl)acetamide
SMILESCc1cccc(N(Cc2ccccc2)C(=O)CSc2nc(C)cc(N)n2)c1
InChIInChI=1S/C21H22N4OS/c1-15-7-6-10-18(11-15)25(13-17-8-4-3-5-9-17)20(26)14-27-21-23-16(2)12-19(22)24-21/h3-12H,13-14H2,1-2H3,(H2,22,23,24)
InChIKeyHPTZWVIALYHUPO-UHFFFAOYSA-N
XLogP4.00
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)acetamide
CID 3169632
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethyl-N-phenylacetamide
CID 112781178
N-benzyl-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methylphenyl)acetamide
CID 30926955
N-benzyl-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-(3-methylphenyl)acetamide
CID 18775229
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(E)-3-phenylprop-2-enyl]acetamide
CID 24578458
2-(2-aminophenyl)sulfanyl-N-benzyl-N-phenylacetamide
CID 858973
N-benzyl-N-methyl-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
CID 8729649
2-(4-acetylpiperazin-1-ium-1-yl)-N-benzyl-N-(3-methylphenyl)acetamide
CID 9205532
N-ethyl-N-(3-methylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 22579626
N-benzyl-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 2338408
N-benzyl-N-(1-cyclopropylethyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
CID 55399369
N-benzyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
CID 23832747

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-benzyl-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-benzyl-N-(3-methylphenyl)acetamide (CID 40663508) is 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-benzyl-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-benzyl-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-benzyl-N-(3-methylphenyl)acetamide is Cc1cccc(N(Cc2ccccc2)C(=O)CSc2nc(C)cc(N)n2)c1.
What is the InChIKey of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-benzyl-N-(3-methylphenyl)acetamide?
The InChIKey is HPTZWVIALYHUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4OS/c1-15-7-6-10-18(11-15)25(13-17-8-4-3-5-9-17)20(26)14-27-21-23-16(2)12-19(22)24-21/h3-12H,13-14H2,1-2H3,(H2,22,23,24).
What are the key properties of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-benzyl-N-(3-methylphenyl)acetamide?
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-benzyl-N-(3-methylphenyl)acetamide has a molecular weight of 378.50 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-benzyl-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 40663508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).