2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

C18H22N4OS — CID 51190736

IUPAC2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCc1cc(N)nc(SCC(=O)N(C)C2CCCc3ccccc32)n1
InChIInChI=1S/C18H22N4OS/c1-12-10-16(19)21-18(20-12)24-11-17(23)22(2)15-9-5-7-13-6-3-4-8-14(13)15/h3-4,6,8,10,15H,5,7,9,11H2,1-2H3,(H2,19,20,21)
InChIKeySUUYMZVBZKYWLA-UHFFFAOYSA-N
MW342.47 g/mol
LogP3.00
Rot. Bonds4

About 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 51190736) has the molecular formula C18H22N4OS and a molecular weight of 342.47 g/mol. Its IUPAC name is 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound Name2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
PubChem CID51190736
Molecular FormulaC18H22N4OS
Molecular Weight342.47 g/mol
Exact Mass342.15
IUPAC Name2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCc1cc(N)nc(SCC(=O)N(C)C2CCCc3ccccc32)n1
InChIInChI=1S/C18H22N4OS/c1-12-10-16(19)21-18(20-12)24-11-17(23)22(2)15-9-5-7-13-6-3-4-8-14(13)15/h3-4,6,8,10,15H,5,7,9,11H2,1-2H3,(H2,19,20,21)
InChIKeySUUYMZVBZKYWLA-UHFFFAOYSA-N
XLogP3.00
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 8852681
2-[(5-amino-4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 134034430
2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 71898763
N-methyl-2-(1-methylimidazol-2-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 51183728
2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 42925664
2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9362210
N-methyl-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 51280562
2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9456069
2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 55547186
N-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 8686002
2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 41252162
[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8551310

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CID 51190736) is 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is Cc1cc(N)nc(SCC(=O)N(C)C2CCCc3ccccc32)n1.
What is the InChIKey of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is SUUYMZVBZKYWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4OS/c1-12-10-16(19)21-18(20-12)24-11-17(23)22(2)15-9-5-7-13-6-3-4-8-14(13)15/h3-4,6,8,10,15H,5,7,9,11H2,1-2H3,(H2,19,20,21).
What are the key properties of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 342.47 g/mol, XLogP of 3.00, 4 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-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 51190736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).