4-thiophen-2-ylsulfanyl-6-[(2S)-2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-amine

C13H13F3N4OS2 — CID 95469034

IUPAC4-thiophen-2-ylsulfanyl-6-[(2S)-2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-amine
SMILESNc1nc(Sc2cccs2)cc(N2CCO[C@H](C(F)(F)F)C2)n1
InChIInChI=1S/C13H13F3N4OS2/c14-13(15,16)8-7-20(3-4-21-8)9-6-10(19-12(17)18-9)23-11-2-1-5-22-11/h1-2,5-6,8H,3-4,7H2,(H2,17,18,19)/t8-/m0/s1
InChIKeyRBAOAQAHWHUXPB-QMMMGPOBSA-N
MW362.40 g/mol
LogP3.04
Rot. Bonds3

About 4-thiophen-2-ylsulfanyl-6-[(2S)-2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-amine

4-thiophen-2-ylsulfanyl-6-[(2S)-2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-amine (PubChem CID 95469034) has the molecular formula C13H13F3N4OS2 and a molecular weight of 362.40 g/mol. Its IUPAC name is 4-thiophen-2-ylsulfanyl-6-[(2S)-2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-thiophen-2-ylsulfanyl-6-[(2S)-2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-amine
PubChem CID95469034
Molecular FormulaC13H13F3N4OS2
Molecular Weight362.40 g/mol
Exact Mass362.05
IUPAC Name4-thiophen-2-ylsulfanyl-6-[(2S)-2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-amine
SMILESNc1nc(Sc2cccs2)cc(N2CCO[C@H](C(F)(F)F)C2)n1
InChIInChI=1S/C13H13F3N4OS2/c14-13(15,16)8-7-20(3-4-21-8)9-6-10(19-12(17)18-9)23-11-2-1-5-22-11/h1-2,5-6,8H,3-4,7H2,(H2,17,18,19)/t8-/m0/s1
InChIKeyRBAOAQAHWHUXPB-QMMMGPOBSA-N
XLogP3.04
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-thiophen-2-ylsulfanyl-6-[(2S)-2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-amine?
The IUPAC name of 4-thiophen-2-ylsulfanyl-6-[(2S)-2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-amine (CID 95469034) is 4-thiophen-2-ylsulfanyl-6-[(2S)-2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-thiophen-2-ylsulfanyl-6-[(2S)-2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-amine?
The canonical SMILES for 4-thiophen-2-ylsulfanyl-6-[(2S)-2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-amine is Nc1nc(Sc2cccs2)cc(N2CCO[C@H](C(F)(F)F)C2)n1.
What is the InChIKey of 4-thiophen-2-ylsulfanyl-6-[(2S)-2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-amine?
The InChIKey is RBAOAQAHWHUXPB-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H13F3N4OS2/c14-13(15,16)8-7-20(3-4-21-8)9-6-10(19-12(17)18-9)23-11-2-1-5-22-11/h1-2,5-6,8H,3-4,7H2,(H2,17,18,19)/t8-/m0/s1.
What are the key properties of 4-thiophen-2-ylsulfanyl-6-[(2S)-2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-amine?
4-thiophen-2-ylsulfanyl-6-[(2S)-2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-amine has a molecular weight of 362.40 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-2-ylsulfanyl-6-[(2S)-2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 95469034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).