N-ethyl-2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-amine

C8H10F3N3S — CID 168894023

IUPACN-ethyl-2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-amine
SMILESCCNc1nc(SC)ncc1C(F)(F)F
InChIInChI=1S/C8H10F3N3S/c1-3-12-6-5(8(9,10)11)4-13-7(14-6)15-2/h4H,3H2,1-2H3,(H,12,13,14)
InChIKeyNLTZMMLNKOFKLO-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.65
Rot. Bonds3

About N-ethyl-2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-amine

N-ethyl-2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 168894023) has the molecular formula C8H10F3N3S and a molecular weight of 237.25 g/mol. Its IUPAC name is N-ethyl-2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-amine
PubChem CID168894023
Molecular FormulaC8H10F3N3S
Molecular Weight237.25 g/mol
Exact Mass237.05
IUPAC NameN-ethyl-2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-amine
SMILESCCNc1nc(SC)ncc1C(F)(F)F
InChIInChI=1S/C8H10F3N3S/c1-3-12-6-5(8(9,10)11)4-13-7(14-6)15-2/h4H,3H2,1-2H3,(H,12,13,14)
InChIKeyNLTZMMLNKOFKLO-UHFFFAOYSA-N
XLogP2.65
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-amine (CID 168894023) is N-ethyl-2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-amine is CCNc1nc(SC)ncc1C(F)(F)F.
What is the InChIKey of N-ethyl-2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is NLTZMMLNKOFKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3S/c1-3-12-6-5(8(9,10)11)4-13-7(14-6)15-2/h4H,3H2,1-2H3,(H,12,13,14).
What are the key properties of N-ethyl-2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-amine?
N-ethyl-2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 237.25 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methylsulfanyl-5-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 168894023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).