6-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine

C10H11ClF3N3O2S — CID 106767578

IUPAC6-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCC1(Nc2cc(Cl)nc(C(F)(F)F)n2)CCS(=O)(=O)C1
InChIInChI=1S/C10H11ClF3N3O2S/c1-9(2-3-20(18,19)5-9)17-7-4-6(11)15-8(16-7)10(12,13)14/h4H,2-3,5H2,1H3,(H,15,16,17)
InChIKeyHYWFJRKOBIYFST-UHFFFAOYSA-N
MW329.73 g/mol
LogP2.14
Rot. Bonds2

About 6-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine

6-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106767578) has the molecular formula C10H11ClF3N3O2S and a molecular weight of 329.73 g/mol. Its IUPAC name is 6-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106767578
Molecular FormulaC10H11ClF3N3O2S
Molecular Weight329.73 g/mol
Exact Mass329.02
IUPAC Name6-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCC1(Nc2cc(Cl)nc(C(F)(F)F)n2)CCS(=O)(=O)C1
InChIInChI=1S/C10H11ClF3N3O2S/c1-9(2-3-20(18,19)5-9)17-7-4-6(11)15-8(16-7)10(12,13)14/h4H,2-3,5H2,1H3,(H,15,16,17)
InChIKeyHYWFJRKOBIYFST-UHFFFAOYSA-N
XLogP2.14
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.73
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine (CID 106767578) is 6-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine is CC1(Nc2cc(Cl)nc(C(F)(F)F)n2)CCS(=O)(=O)C1.
What is the InChIKey of 6-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is HYWFJRKOBIYFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3N3O2S/c1-9(2-3-20(18,19)5-9)17-7-4-6(11)15-8(16-7)10(12,13)14/h4H,2-3,5H2,1H3,(H,15,16,17).
What are the key properties of 6-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
6-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 329.73 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106767578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).