6-propylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine

C8H10F3N3S — CID 106774966

IUPAC6-propylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCCSc1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C8H10F3N3S/c1-2-3-15-6-4-5(12)13-7(14-6)8(9,10)11/h4H,2-3H2,1H3,(H2,12,13,14)
InChIKeyARRYTUNEMXMXCK-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.58
Rot. Bonds3

About 6-propylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine

6-propylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106774966) has the molecular formula C8H10F3N3S and a molecular weight of 237.25 g/mol. Its IUPAC name is 6-propylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-propylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106774966
Molecular FormulaC8H10F3N3S
Molecular Weight237.25 g/mol
Exact Mass237.05
IUPAC Name6-propylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCCSc1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C8H10F3N3S/c1-2-3-15-6-4-5(12)13-7(14-6)8(9,10)11/h4H,2-3H2,1H3,(H2,12,13,14)
InChIKeyARRYTUNEMXMXCK-UHFFFAOYSA-N
XLogP2.58
TPSA51.80 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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-Methylthio-pyrimidine-2,4-diamine
CID 235893
2-[(2,6-Diaminopyrimidin-4-yl)sulfanyl]acetamide
CID 1712443
4-Pyrimidinamine, 6-(butylthio)-2-chloro-
CID 478116
4-Isobutylsulfanyl-2,6-diisobutylamino-pyrimidine
CID 25130897
6-(methylsulfanyl)-N-propylpyrimidin-4-amine
CID 80885847
6-(Methylthio)-2-(trifluoromethyl)-4-pyrimidinamine
CID 610528
6-(Tert-butylsulfanyl)-2-methyl-5-(trifluoromethyl)pyrimidin-4-amine
CID 929995
1-Cyano-2-methyl-3-[3-[2-(trifluoromethyl)pyrimidin-4-yl]sulfanylpropyl]guanidine
CID 54036039
2-(3,3,3-Trifluoropropylsulfanyl)pyrimidine-4,6-diamine
CID 60425578
2-(2,2-Difluorocyclopropyl)-4,6-bis(methylthio)pyrimidine
CID 117679235
6-((Trifluoromethyl)thio)pyrimidin-4-amine
CID 121320703
6-Prop-2-ynylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 146291225

Frequently Asked Questions

What is the IUPAC name of 6-propylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-propylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 106774966) is 6-propylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-propylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-propylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine is CCCSc1cc(N)nc(C(F)(F)F)n1.
What is the InChIKey of 6-propylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is ARRYTUNEMXMXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3S/c1-2-3-15-6-4-5(12)13-7(14-6)8(9,10)11/h4H,2-3H2,1H3,(H2,12,13,14).
What are the key properties of 6-propylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine?
6-propylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 237.25 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106774966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).