2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(4-butan-2-ylphenyl)acetamide

C17H22N4OS — CID 78801247

IUPAC2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(4-butan-2-ylphenyl)acetamide
SMILESCCC(C)c1ccc(NC(=O)CSc2nc(C)cc(N)n2)cc1
InChIInChI=1S/C17H22N4OS/c1-4-11(2)13-5-7-14(8-6-13)20-16(22)10-23-17-19-12(3)9-15(18)21-17/h5-9,11H,4,10H2,1-3H3,(H,20,22)(H2,18,19,21)
InChIKeySBLVPMNDFRPFNG-UHFFFAOYSA-N
MW330.46 g/mol
LogP3.61
Rot. Bonds6

About 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(4-butan-2-ylphenyl)acetamide

2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(4-butan-2-ylphenyl)acetamide (PubChem CID 78801247) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(4-butan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(4-butan-2-ylphenyl)acetamide
PubChem CID78801247
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Name2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(4-butan-2-ylphenyl)acetamide
SMILESCCC(C)c1ccc(NC(=O)CSc2nc(C)cc(N)n2)cc1
InChIInChI=1S/C17H22N4OS/c1-4-11(2)13-5-7-14(8-6-13)20-16(22)10-23-17-19-12(3)9-15(18)21-17/h5-9,11H,4,10H2,1-3H3,(H,20,22)(H2,18,19,21)
InChIKeySBLVPMNDFRPFNG-UHFFFAOYSA-N
XLogP3.61
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(2R)-butan-2-yl]phenyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 2088078
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(4-bromophenyl)acetamide
CID 17450187
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 39067806
N-[4-(diethylamino)phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 40604446
N-(3-amino-4-methylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 62305813
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2-ethylphenyl)acetamide
CID 40663485
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[1-(4-chlorophenyl)propyl]acetamide
CID 55541824
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 18130867
2-[[5-[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[4-[(2R)-butan-2-yl]phenyl]acetamide
CID 25369910
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 40663166
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)acetamide
CID 16560439
2-[4-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]phenyl]-N-methylacetamide
CID 36544300

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(4-butan-2-ylphenyl)acetamide?
The IUPAC name of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(4-butan-2-ylphenyl)acetamide (CID 78801247) is 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(4-butan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(4-butan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(4-butan-2-ylphenyl)acetamide is CCC(C)c1ccc(NC(=O)CSc2nc(C)cc(N)n2)cc1.
What is the InChIKey of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(4-butan-2-ylphenyl)acetamide?
The InChIKey is SBLVPMNDFRPFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-4-11(2)13-5-7-14(8-6-13)20-16(22)10-23-17-19-12(3)9-15(18)21-17/h5-9,11H,4,10H2,1-3H3,(H,20,22)(H2,18,19,21).
What are the key properties of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(4-butan-2-ylphenyl)acetamide?
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(4-butan-2-ylphenyl)acetamide has a molecular weight of 330.46 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 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-(4-butan-2-ylphenyl)acetamide is sourced from PubChem (CID 78801247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).