2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide

C9H11F3N4OS — CID 40663364

IUPAC2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1cc(N)nc(SCC(=O)NCC(F)(F)F)n1
InChIInChI=1S/C9H11F3N4OS/c1-5-2-6(13)16-8(15-5)18-3-7(17)14-4-9(10,11)12/h2H,3-4H2,1H3,(H,14,17)(H2,13,15,16)
InChIKeyIWMNZMVPMQZPOE-UHFFFAOYSA-N
MW280.27 g/mol
LogP1.14
Rot. Bonds4

About 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide

2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 40663364) has the molecular formula C9H11F3N4OS and a molecular weight of 280.27 g/mol. Its IUPAC name is 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID40663364
Molecular FormulaC9H11F3N4OS
Molecular Weight280.27 g/mol
Exact Mass280.06
IUPAC Name2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1cc(N)nc(SCC(=O)NCC(F)(F)F)n1
InChIInChI=1S/C9H11F3N4OS/c1-5-2-6(13)16-8(15-5)18-3-7(17)14-4-9(10,11)12/h2H,3-4H2,1H3,(H,14,17)(H2,13,15,16)
InChIKeyIWMNZMVPMQZPOE-UHFFFAOYSA-N
XLogP1.14
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 4430216
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CID 44220304
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CID 2976289
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CID 2772852
CID 2772852
CID 2979066
CID 2979066
CID 6465408
CID 6465408
CID 719065
CID 719065
CID 719067
CID 719067
CID 2496710
CID 2496710
CID 650834
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CID 53835
CID 53835

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide (CID 40663364) is 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide is Cc1cc(N)nc(SCC(=O)NCC(F)(F)F)n1.
What is the InChIKey of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is IWMNZMVPMQZPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4OS/c1-5-2-6(13)16-8(15-5)18-3-7(17)14-4-9(10,11)12/h2H,3-4H2,1H3,(H,14,17)(H2,13,15,16).
What are the key properties of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 280.27 g/mol, XLogP of 1.14, 4 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-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 40663364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).