2-(2,3-dimethylthiomorpholin-4-yl)-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine

C13H19F3N4S — CID 133309157

IUPAC2-(2,3-dimethylthiomorpholin-4-yl)-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCC1SCCN(c2nc(N(C)C)cc(C(F)(F)F)n2)C1C
InChIInChI=1S/C13H19F3N4S/c1-8-9(2)21-6-5-20(8)12-17-10(13(14,15)16)7-11(18-12)19(3)4/h7-9H,5-6H2,1-4H3
InChIKeyALWIFWSNAYMEMZ-UHFFFAOYSA-N
MW320.38 g/mol
LogP2.89
Rot. Bonds2

About 2-(2,3-dimethylthiomorpholin-4-yl)-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine

2-(2,3-dimethylthiomorpholin-4-yl)-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 133309157) has the molecular formula C13H19F3N4S and a molecular weight of 320.38 g/mol. Its IUPAC name is 2-(2,3-dimethylthiomorpholin-4-yl)-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2,3-dimethylthiomorpholin-4-yl)-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID133309157
Molecular FormulaC13H19F3N4S
Molecular Weight320.38 g/mol
Exact Mass320.13
IUPAC Name2-(2,3-dimethylthiomorpholin-4-yl)-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCC1SCCN(c2nc(N(C)C)cc(C(F)(F)F)n2)C1C
InChIInChI=1S/C13H19F3N4S/c1-8-9(2)21-6-5-20(8)12-17-10(13(14,15)16)7-11(18-12)19(3)4/h7-9H,5-6H2,1-4H3
InChIKeyALWIFWSNAYMEMZ-UHFFFAOYSA-N
XLogP2.89
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-6-methylpiperidine-3-carboxamide
CID 133271070
(3S)-4-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-propylpiperazin-2-one
CID 97251621
(3R)-4-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-propylpiperazin-2-one
CID 97251620
2-[4-(4-fluorophenoxy)piperidin-1-yl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133316055
2-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133274040
N,N-dimethyl-2-(2-methyl-6-phenylmorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 133274545
2-[(2S)-2-(6-chloro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 96536005
2-[4-(2-fluoroanilino)piperidin-1-yl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133330758
(3,4-difluorophenyl)-[4-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 78857592
N,N-dimethyl-2-(4-propyl-1,4-diazepan-1-yl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 133314312
2-[2-(4-bromophenyl)morpholin-4-yl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133274501
5-[1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 133497568

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylthiomorpholin-4-yl)-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 2-(2,3-dimethylthiomorpholin-4-yl)-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine (CID 133309157) is 2-(2,3-dimethylthiomorpholin-4-yl)-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(2,3-dimethylthiomorpholin-4-yl)-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 2-(2,3-dimethylthiomorpholin-4-yl)-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine is CC1SCCN(c2nc(N(C)C)cc(C(F)(F)F)n2)C1C.
What is the InChIKey of 2-(2,3-dimethylthiomorpholin-4-yl)-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is ALWIFWSNAYMEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4S/c1-8-9(2)21-6-5-20(8)12-17-10(13(14,15)16)7-11(18-12)19(3)4/h7-9H,5-6H2,1-4H3.
What are the key properties of 2-(2,3-dimethylthiomorpholin-4-yl)-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine?
2-(2,3-dimethylthiomorpholin-4-yl)-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 320.38 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylthiomorpholin-4-yl)-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 133309157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).