6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine

C10H13F3N4O2S — CID 106770877

IUPAC6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCNc1cc(N2CCS(=O)(=O)CC2)nc(C(F)(F)F)n1
InChIInChI=1S/C10H13F3N4O2S/c1-14-7-6-8(16-9(15-7)10(11,12)13)17-2-4-20(18,19)5-3-17/h6H,2-5H2,1H3,(H,14,15,16)
InChIKeyMRRSQLSFNDLPMQ-UHFFFAOYSA-N
MW310.30 g/mol
LogP0.77
Rot. Bonds2

About 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine

6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106770877) has the molecular formula C10H13F3N4O2S and a molecular weight of 310.30 g/mol. Its IUPAC name is 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106770877
Molecular FormulaC10H13F3N4O2S
Molecular Weight310.30 g/mol
Exact Mass310.07
IUPAC Name6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCNc1cc(N2CCS(=O)(=O)CC2)nc(C(F)(F)F)n1
InChIInChI=1S/C10H13F3N4O2S/c1-14-7-6-8(16-9(15-7)10(11,12)13)17-2-4-20(18,19)5-3-17/h6H,2-5H2,1H3,(H,14,15,16)
InChIKeyMRRSQLSFNDLPMQ-UHFFFAOYSA-N
XLogP0.77
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 106770877) is 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine is CNc1cc(N2CCS(=O)(=O)CC2)nc(C(F)(F)F)n1.
What is the InChIKey of 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is MRRSQLSFNDLPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O2S/c1-14-7-6-8(16-9(15-7)10(11,12)13)17-2-4-20(18,19)5-3-17/h6H,2-5H2,1H3,(H,14,15,16).
What are the key properties of 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 310.30 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106770877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).