6-chloro-N-methyl-N-[(1-sulfanylidene-1,4-thiazinan-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine

C11H14ClF3N4S2 — CID 177059860

IUPAC6-chloro-N-methyl-N-[(1-sulfanylidene-1,4-thiazinan-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCN(CC1CNCCS1=S)c1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C11H14ClF3N4S2/c1-19(6-7-5-16-2-3-21(7)20)9-4-8(12)17-10(18-9)11(13,14)15/h4,7,16H,2-3,5-6H2,1H3
InChIKeyALSZYOXDGNYPMJ-UHFFFAOYSA-N
MW358.84 g/mol
LogP1.64
Rot. Bonds3

About 6-chloro-N-methyl-N-[(1-sulfanylidene-1,4-thiazinan-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine

6-chloro-N-methyl-N-[(1-sulfanylidene-1,4-thiazinan-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 177059860) has the molecular formula C11H14ClF3N4S2 and a molecular weight of 358.84 g/mol. Its IUPAC name is 6-chloro-N-methyl-N-[(1-sulfanylidene-1,4-thiazinan-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-methyl-N-[(1-sulfanylidene-1,4-thiazinan-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID177059860
Molecular FormulaC11H14ClF3N4S2
Molecular Weight358.84 g/mol
Exact Mass358.03
IUPAC Name6-chloro-N-methyl-N-[(1-sulfanylidene-1,4-thiazinan-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCN(CC1CNCCS1=S)c1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C11H14ClF3N4S2/c1-19(6-7-5-16-2-3-21(7)20)9-4-8(12)17-10(18-9)11(13,14)15/h4,7,16H,2-3,5-6H2,1H3
InChIKeyALSZYOXDGNYPMJ-UHFFFAOYSA-N
XLogP1.64
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.84
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-(2,2-difluoroethyl)-2-methylpyrimidin-4-amine
CID 79098170
6-chloro-N-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-amine
CID 58336991
6-chloro-2-(1,1-difluoroethyl)-N-propan-2-ylpyrimidin-4-amine
CID 89879685
6-chloro-N-methyl-N-[(4-methylsulfonylthiomorpholin-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 176387323
6-chloro-N-[(1,1-dioxo-1,4-thiazinan-2-yl)methyl]-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 176387382
6-chloro-N-methyl-N-[(4-methylsulfonyl-1,1-dioxo-1,4-thiazinan-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 176387394
6-chloro-N-methyl-N-(thiomorpholin-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 176387430
4-Chloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-2-amine
CID 47159201
4-Chloro-2-methyl-6-(4-(2,2,2-trifluoroethyl)piperazin-1-yl)pyrimidine
CID 55152858
6-chloro-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 62481119
6-chloro-2-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 63227596
4-Chloro-6-(piperazin-1-yl)-2-(trifluoromethyl)pyrimidine
CID 73553730

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-N-[(1-sulfanylidene-1,4-thiazinan-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-methyl-N-[(1-sulfanylidene-1,4-thiazinan-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine (CID 177059860) is 6-chloro-N-methyl-N-[(1-sulfanylidene-1,4-thiazinan-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-methyl-N-[(1-sulfanylidene-1,4-thiazinan-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-methyl-N-[(1-sulfanylidene-1,4-thiazinan-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine is CN(CC1CNCCS1=S)c1cc(Cl)nc(C(F)(F)F)n1.
What is the InChIKey of 6-chloro-N-methyl-N-[(1-sulfanylidene-1,4-thiazinan-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is ALSZYOXDGNYPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF3N4S2/c1-19(6-7-5-16-2-3-21(7)20)9-4-8(12)17-10(18-9)11(13,14)15/h4,7,16H,2-3,5-6H2,1H3.
What are the key properties of 6-chloro-N-methyl-N-[(1-sulfanylidene-1,4-thiazinan-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine?
6-chloro-N-methyl-N-[(1-sulfanylidene-1,4-thiazinan-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 358.84 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-N-[(1-sulfanylidene-1,4-thiazinan-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 177059860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).