N-methyl-6-thiophen-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine

C10H8F3N3S2 — CID 106774945

IUPACN-methyl-6-thiophen-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCNc1cc(Sc2cccs2)nc(C(F)(F)F)n1
InChIInChI=1S/C10H8F3N3S2/c1-14-6-5-7(18-8-3-2-4-17-8)16-9(15-6)10(11,12)13/h2-5H,1H3,(H,14,15,16)
InChIKeyBGTSHIPGSZPKAB-UHFFFAOYSA-N
MW291.32 g/mol
LogP3.75
Rot. Bonds3

About N-methyl-6-thiophen-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine

N-methyl-6-thiophen-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106774945) has the molecular formula C10H8F3N3S2 and a molecular weight of 291.32 g/mol. Its IUPAC name is N-methyl-6-thiophen-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-thiophen-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106774945
Molecular FormulaC10H8F3N3S2
Molecular Weight291.32 g/mol
Exact Mass291.01
IUPAC NameN-methyl-6-thiophen-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCNc1cc(Sc2cccs2)nc(C(F)(F)F)n1
InChIInChI=1S/C10H8F3N3S2/c1-14-6-5-7(18-8-3-2-4-17-8)16-9(15-6)10(11,12)13/h2-5H,1H3,(H,14,15,16)
InChIKeyBGTSHIPGSZPKAB-UHFFFAOYSA-N
XLogP3.75
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-thiophen-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-methyl-6-thiophen-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 106774945) is N-methyl-6-thiophen-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-thiophen-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-methyl-6-thiophen-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine is CNc1cc(Sc2cccs2)nc(C(F)(F)F)n1.
What is the InChIKey of N-methyl-6-thiophen-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is BGTSHIPGSZPKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3S2/c1-14-6-5-7(18-8-3-2-4-17-8)16-9(15-6)10(11,12)13/h2-5H,1H3,(H,14,15,16).
What are the key properties of N-methyl-6-thiophen-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine?
N-methyl-6-thiophen-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 291.32 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-thiophen-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106774945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).