4-tert-butylsulfanyl-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine

C11H16F3N3S — CID 114566701

IUPAC4-tert-butylsulfanyl-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCNc1nc(SC(C)(C)C)cc(C(F)(F)F)n1
InChIInChI=1S/C11H16F3N3S/c1-5-15-9-16-7(11(12,13)14)6-8(17-9)18-10(2,3)4/h6H,5H2,1-4H3,(H,15,16,17)
InChIKeyZYFQEWMRKYLQRM-UHFFFAOYSA-N
MW279.33 g/mol
LogP3.82
Rot. Bonds3

About 4-tert-butylsulfanyl-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine

4-tert-butylsulfanyl-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 114566701) has the molecular formula C11H16F3N3S and a molecular weight of 279.33 g/mol. Its IUPAC name is 4-tert-butylsulfanyl-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-tert-butylsulfanyl-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID114566701
Molecular FormulaC11H16F3N3S
Molecular Weight279.33 g/mol
Exact Mass279.10
IUPAC Name4-tert-butylsulfanyl-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCNc1nc(SC(C)(C)C)cc(C(F)(F)F)n1
InChIInChI=1S/C11H16F3N3S/c1-5-15-9-16-7(11(12,13)14)6-8(17-9)18-10(2,3)4/h6H,5H2,1-4H3,(H,15,16,17)
InChIKeyZYFQEWMRKYLQRM-UHFFFAOYSA-N
XLogP3.82
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(dimethylamino)ethylsulfanyl]-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566898
N-ethyl-4-(2-methoxyethylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566738
N-ethyl-4-(2-methylsulfonylethylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566632
N-ethyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566913
N-ethyl-4-pyrimidin-4-ylsulfanyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566849
N-ethyl-4-(1-methylpyrazol-4-yl)sulfanyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566792
3-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 114566815
[4-propylsulfanyl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567865
4-(3-methoxypropylsulfanyl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566851
4-(cyclopentylmethylsulfanyl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566838
N-ethyl-4-(4-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 44821862
2-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]oxyethanol
CID 114566256

Frequently Asked Questions

What is the IUPAC name of 4-tert-butylsulfanyl-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-tert-butylsulfanyl-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine (CID 114566701) is 4-tert-butylsulfanyl-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-tert-butylsulfanyl-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-tert-butylsulfanyl-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine is CCNc1nc(SC(C)(C)C)cc(C(F)(F)F)n1.
What is the InChIKey of 4-tert-butylsulfanyl-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is ZYFQEWMRKYLQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3S/c1-5-15-9-16-7(11(12,13)14)6-8(17-9)18-10(2,3)4/h6H,5H2,1-4H3,(H,15,16,17).
What are the key properties of 4-tert-butylsulfanyl-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine?
4-tert-butylsulfanyl-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 279.33 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylsulfanyl-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 114566701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).