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

C12H12F3N3S2 — CID 106774946

IUPACN-propyl-6-thiophen-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCCNc1cc(Sc2cccs2)nc(C(F)(F)F)n1
InChIInChI=1S/C12H12F3N3S2/c1-2-5-16-8-7-9(20-10-4-3-6-19-10)18-11(17-8)12(13,14)15/h3-4,6-7H,2,5H2,1H3,(H,16,17,18)
InChIKeyFARMVWOQPNPNOC-UHFFFAOYSA-N
MW319.38 g/mol
LogP4.53
Rot. Bonds5

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

N-propyl-6-thiophen-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106774946) has the molecular formula C12H12F3N3S2 and a molecular weight of 319.38 g/mol. Its IUPAC name is N-propyl-6-thiophen-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-propyl-6-thiophen-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106774946
Molecular FormulaC12H12F3N3S2
Molecular Weight319.38 g/mol
Exact Mass319.04
IUPAC NameN-propyl-6-thiophen-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCCNc1cc(Sc2cccs2)nc(C(F)(F)F)n1
InChIInChI=1S/C12H12F3N3S2/c1-2-5-16-8-7-9(20-10-4-3-6-19-10)18-11(17-8)12(13,14)15/h3-4,6-7H,2,5H2,1H3,(H,16,17,18)
InChIKeyFARMVWOQPNPNOC-UHFFFAOYSA-N
XLogP4.53
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-propyl-6-thiophen-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-propyl-6-thiophen-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 106774946) is N-propyl-6-thiophen-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-propyl-6-thiophen-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-propyl-6-thiophen-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine is CCCNc1cc(Sc2cccs2)nc(C(F)(F)F)n1.
What is the InChIKey of N-propyl-6-thiophen-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is FARMVWOQPNPNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3S2/c1-2-5-16-8-7-9(20-10-4-3-6-19-10)18-11(17-8)12(13,14)15/h3-4,6-7H,2,5H2,1H3,(H,16,17,18).
What are the key properties of N-propyl-6-thiophen-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine?
N-propyl-6-thiophen-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 319.38 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-6-thiophen-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106774946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).