N,N-dimethyl-2-(2-morpholin-4-ylethylsulfanyl)-6-(trifluoromethyl)pyrimidin-4-amine

C13H19F3N4OS — CID 133408455

IUPACN,N-dimethyl-2-(2-morpholin-4-ylethylsulfanyl)-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCN(C)c1cc(C(F)(F)F)nc(SCCN2CCOCC2)n1
InChIInChI=1S/C13H19F3N4OS/c1-19(2)11-9-10(13(14,15)16)17-12(18-11)22-8-5-20-3-6-21-7-4-20/h9H,3-8H2,1-2H3
InChIKeyFWEUEUSUKLZMQS-UHFFFAOYSA-N
MW336.38 g/mol
LogP1.99
Rot. Bonds5

About N,N-dimethyl-2-(2-morpholin-4-ylethylsulfanyl)-6-(trifluoromethyl)pyrimidin-4-amine

N,N-dimethyl-2-(2-morpholin-4-ylethylsulfanyl)-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 133408455) has the molecular formula C13H19F3N4OS and a molecular weight of 336.38 g/mol. Its IUPAC name is N,N-dimethyl-2-(2-morpholin-4-ylethylsulfanyl)-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-(2-morpholin-4-ylethylsulfanyl)-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID133408455
Molecular FormulaC13H19F3N4OS
Molecular Weight336.38 g/mol
Exact Mass336.12
IUPAC NameN,N-dimethyl-2-(2-morpholin-4-ylethylsulfanyl)-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCN(C)c1cc(C(F)(F)F)nc(SCCN2CCOCC2)n1
InChIInChI=1S/C13H19F3N4OS/c1-19(2)11-9-10(13(14,15)16)17-12(18-11)22-8-5-20-3-6-21-7-4-20/h9H,3-8H2,1-2H3
InChIKeyFWEUEUSUKLZMQS-UHFFFAOYSA-N
XLogP1.99
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(2-morpholin-4-ylethylsulfanyl)-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N,N-dimethyl-2-(2-morpholin-4-ylethylsulfanyl)-6-(trifluoromethyl)pyrimidin-4-amine (CID 133408455) is N,N-dimethyl-2-(2-morpholin-4-ylethylsulfanyl)-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N,N-dimethyl-2-(2-morpholin-4-ylethylsulfanyl)-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N,N-dimethyl-2-(2-morpholin-4-ylethylsulfanyl)-6-(trifluoromethyl)pyrimidin-4-amine is CN(C)c1cc(C(F)(F)F)nc(SCCN2CCOCC2)n1.
What is the InChIKey of N,N-dimethyl-2-(2-morpholin-4-ylethylsulfanyl)-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is FWEUEUSUKLZMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4OS/c1-19(2)11-9-10(13(14,15)16)17-12(18-11)22-8-5-20-3-6-21-7-4-20/h9H,3-8H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(2-morpholin-4-ylethylsulfanyl)-6-(trifluoromethyl)pyrimidin-4-amine?
N,N-dimethyl-2-(2-morpholin-4-ylethylsulfanyl)-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 336.38 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(2-morpholin-4-ylethylsulfanyl)-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 133408455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).