N-[4,6-bis(methylsulfanyl)-2-[(2,2,2-trifluoroacetyl)amino]pyrimidin-5-yl]-2,2,2-trifluoroacetamide

C10H8F6N4O2S2 — CID 6431785

IUPACN-[4,6-bis(methylsulfanyl)-2-[(2,2,2-trifluoroacetyl)amino]pyrimidin-5-yl]-2,2,2-trifluoroacetamide
SMILESCSc1nc(NC(=O)C(F)(F)F)nc(SC)c1NC(=O)C(F)(F)F
InChIInChI=1S/C10H8F6N4O2S2/c1-23-4-3(17-6(21)9(11,12)13)5(24-2)19-8(18-4)20-7(22)10(14,15)16/h1-2H3,(H,17,21)(H,18,19,20,22)
InChIKeySGHUHUDAJDQDEL-UHFFFAOYSA-N
MW394.32 g/mol
LogP2.92
Rot. Bonds4

About N-[4,6-bis(methylsulfanyl)-2-[(2,2,2-trifluoroacetyl)amino]pyrimidin-5-yl]-2,2,2-trifluoroacetamide

N-[4,6-bis(methylsulfanyl)-2-[(2,2,2-trifluoroacetyl)amino]pyrimidin-5-yl]-2,2,2-trifluoroacetamide (PubChem CID 6431785) has the molecular formula C10H8F6N4O2S2 and a molecular weight of 394.32 g/mol. Its IUPAC name is N-[4,6-bis(methylsulfanyl)-2-[(2,2,2-trifluoroacetyl)amino]pyrimidin-5-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[4,6-bis(methylsulfanyl)-2-[(2,2,2-trifluoroacetyl)amino]pyrimidin-5-yl]-2,2,2-trifluoroacetamide
PubChem CID6431785
Molecular FormulaC10H8F6N4O2S2
Molecular Weight394.32 g/mol
Exact Mass394.00
IUPAC NameN-[4,6-bis(methylsulfanyl)-2-[(2,2,2-trifluoroacetyl)amino]pyrimidin-5-yl]-2,2,2-trifluoroacetamide
SMILESCSc1nc(NC(=O)C(F)(F)F)nc(SC)c1NC(=O)C(F)(F)F
InChIInChI=1S/C10H8F6N4O2S2/c1-23-4-3(17-6(21)9(11,12)13)5(24-2)19-8(18-4)20-7(22)10(14,15)16/h1-2H3,(H,17,21)(H,18,19,20,22)
InChIKeySGHUHUDAJDQDEL-UHFFFAOYSA-N
XLogP2.92
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.32
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4,6-bis(methylsulfanyl)-2-[(2,2,2-trifluoroacetyl)amino]pyrimidin-5-yl]-2,2,2-trifluoroacetamide with MolForge

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Related Compounds

2,2,2-trifluoro-N-(2,3,5,6-tetrafluoro-4-pyridinyl)acetamide
CID 169302963
2,2-difluoro-2-(4-methoxyphenyl)-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]acetamide
CID 23365755
N-[2-amino-4-(methylamino)-6-oxo-1H-pyrimidin-5-yl]-2,2,2-trifluoroacetamide
CID 171384109
carbamic acid;2,2,2-trifluoro-N-pyrimidin-2-ylacetamide
CID 87240308
2,2,2-trifluoro-N-(3-fluoro-4-methylsulfanylphenyl)acetamide
CID 142667086
2,2,2-trifluoro-N-[2-[(2,2,2-trifluoroacetyl)amino]-7H-purin-6-yl]acetamide
CID 170061846
2,2,2-trifluoro-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)acetamide
CID 108763051
2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide
CID 5013683
N-(2-bromo-4,6-difluorophenyl)-2,2,2-trifluoroacetamide
CID 17068588
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2,2,2-trifluoroacetamide
CID 9185268
N-(4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-2,2,2-trifluoroacetamide
CID 162534510
2,2,2-trifluoro-N-(7-methyl-5-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)acetamide
CID 154222028

Frequently Asked Questions

What is the IUPAC name of N-[4,6-bis(methylsulfanyl)-2-[(2,2,2-trifluoroacetyl)amino]pyrimidin-5-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[4,6-bis(methylsulfanyl)-2-[(2,2,2-trifluoroacetyl)amino]pyrimidin-5-yl]-2,2,2-trifluoroacetamide (CID 6431785) is N-[4,6-bis(methylsulfanyl)-2-[(2,2,2-trifluoroacetyl)amino]pyrimidin-5-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[4,6-bis(methylsulfanyl)-2-[(2,2,2-trifluoroacetyl)amino]pyrimidin-5-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[4,6-bis(methylsulfanyl)-2-[(2,2,2-trifluoroacetyl)amino]pyrimidin-5-yl]-2,2,2-trifluoroacetamide is CSc1nc(NC(=O)C(F)(F)F)nc(SC)c1NC(=O)C(F)(F)F.
What is the InChIKey of N-[4,6-bis(methylsulfanyl)-2-[(2,2,2-trifluoroacetyl)amino]pyrimidin-5-yl]-2,2,2-trifluoroacetamide?
The InChIKey is SGHUHUDAJDQDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F6N4O2S2/c1-23-4-3(17-6(21)9(11,12)13)5(24-2)19-8(18-4)20-7(22)10(14,15)16/h1-2H3,(H,17,21)(H,18,19,20,22).
What are the key properties of N-[4,6-bis(methylsulfanyl)-2-[(2,2,2-trifluoroacetyl)amino]pyrimidin-5-yl]-2,2,2-trifluoroacetamide?
N-[4,6-bis(methylsulfanyl)-2-[(2,2,2-trifluoroacetyl)amino]pyrimidin-5-yl]-2,2,2-trifluoroacetamide has a molecular weight of 394.32 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,6-bis(methylsulfanyl)-2-[(2,2,2-trifluoroacetyl)amino]pyrimidin-5-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 6431785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).