6-tert-butylsulfanyl-2-methyl-5-(trifluoromethyl)pyrimidin-4-amine

C10H14F3N3S — CID 929995

IUPAC6-tert-butylsulfanyl-2-methyl-5-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1nc(N)c(C(F)(F)F)c(SC(C)(C)C)n1
InChIInChI=1S/C10H14F3N3S/c1-5-15-7(14)6(10(11,12)13)8(16-5)17-9(2,3)4/h1-4H3,(H2,14,15,16)
InChIKeyUXLKHYXYIFQBSL-UHFFFAOYSA-N
MW265.30 g/mol
LogP3.28
Rot. Bonds1

About 6-tert-butylsulfanyl-2-methyl-5-(trifluoromethyl)pyrimidin-4-amine

6-tert-butylsulfanyl-2-methyl-5-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 929995) has the molecular formula C10H14F3N3S and a molecular weight of 265.30 g/mol. Its IUPAC name is 6-tert-butylsulfanyl-2-methyl-5-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butylsulfanyl-2-methyl-5-(trifluoromethyl)pyrimidin-4-amine
PubChem CID929995
Molecular FormulaC10H14F3N3S
Molecular Weight265.30 g/mol
Exact Mass265.09
IUPAC Name6-tert-butylsulfanyl-2-methyl-5-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1nc(N)c(C(F)(F)F)c(SC(C)(C)C)n1
InChIInChI=1S/C10H14F3N3S/c1-5-15-7(14)6(10(11,12)13)8(16-5)17-9(2,3)4/h1-4H3,(H2,14,15,16)
InChIKeyUXLKHYXYIFQBSL-UHFFFAOYSA-N
XLogP3.28
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Amino-2-methyl-6-(methylsulfanyl)pyrimidine-5-carbonitrile
CID 2726800
4-Amino-6-methylsulfanyl-2-(trifluoromethyl)pyrimidine-5-carbonitrile
CID 2746109
6-(Methylthio)-2-(trifluoromethyl)-4-pyrimidinamine
CID 610528
6-(2-Methylpropylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774931
6-Butan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774953
6-Ethylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774959
6-Tert-butylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774962
6-tert-butylsulfanyl-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774963
6-tert-butylsulfanyl-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774964
6-Propylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774966
6-Butylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775022
6-Propan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775056

Frequently Asked Questions

What is the IUPAC name of 6-tert-butylsulfanyl-2-methyl-5-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-tert-butylsulfanyl-2-methyl-5-(trifluoromethyl)pyrimidin-4-amine (CID 929995) is 6-tert-butylsulfanyl-2-methyl-5-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-tert-butylsulfanyl-2-methyl-5-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-tert-butylsulfanyl-2-methyl-5-(trifluoromethyl)pyrimidin-4-amine is Cc1nc(N)c(C(F)(F)F)c(SC(C)(C)C)n1.
What is the InChIKey of 6-tert-butylsulfanyl-2-methyl-5-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is UXLKHYXYIFQBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3S/c1-5-15-7(14)6(10(11,12)13)8(16-5)17-9(2,3)4/h1-4H3,(H2,14,15,16).
What are the key properties of 6-tert-butylsulfanyl-2-methyl-5-(trifluoromethyl)pyrimidin-4-amine?
6-tert-butylsulfanyl-2-methyl-5-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 265.30 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butylsulfanyl-2-methyl-5-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 929995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).