6-methylsulfanyl-N-[1-(trifluoromethyl)cyclopropyl]pyrimidin-4-amine

C9H10F3N3S — CID 106215025

IUPAC6-methylsulfanyl-N-[1-(trifluoromethyl)cyclopropyl]pyrimidin-4-amine
SMILESCSc1cc(NC2(C(F)(F)F)CC2)ncn1
InChIInChI=1S/C9H10F3N3S/c1-16-7-4-6(13-5-14-7)15-8(2-3-8)9(10,11)12/h4-5H,2-3H2,1H3,(H,13,14,15)
InChIKeyATGIPNVRXPRFFR-UHFFFAOYSA-N
MW249.26 g/mol
LogP2.71
Rot. Bonds3

About 6-methylsulfanyl-N-[1-(trifluoromethyl)cyclopropyl]pyrimidin-4-amine

6-methylsulfanyl-N-[1-(trifluoromethyl)cyclopropyl]pyrimidin-4-amine (PubChem CID 106215025) has the molecular formula C9H10F3N3S and a molecular weight of 249.26 g/mol. Its IUPAC name is 6-methylsulfanyl-N-[1-(trifluoromethyl)cyclopropyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methylsulfanyl-N-[1-(trifluoromethyl)cyclopropyl]pyrimidin-4-amine
PubChem CID106215025
Molecular FormulaC9H10F3N3S
Molecular Weight249.26 g/mol
Exact Mass249.05
IUPAC Name6-methylsulfanyl-N-[1-(trifluoromethyl)cyclopropyl]pyrimidin-4-amine
SMILESCSc1cc(NC2(C(F)(F)F)CC2)ncn1
InChIInChI=1S/C9H10F3N3S/c1-16-7-4-6(13-5-14-7)15-8(2-3-8)9(10,11)12/h4-5H,2-3H2,1H3,(H,13,14,15)
InChIKeyATGIPNVRXPRFFR-UHFFFAOYSA-N
XLogP2.71
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(Methylsulfanyl)pyrimidin-4-amine
CID 238575
6-[2-(dimethylamino)ethylsulfanyl]-N-propan-2-ylpyrimidin-4-amine
CID 172436450
Pyrimidine, 4-methylamino-6-methylthio-
CID 79006689
6-(methylsulfanyl)-N-propylpyrimidin-4-amine
CID 80885847
Pyrimidine, 4-dimethylamino-6-methylthio-
CID 85653290
6-(Methylthio)-2-(trifluoromethyl)-4-pyrimidinamine
CID 610528
1-Cyano-2-methyl-3-[3-[2-(trifluoromethyl)pyrimidin-4-yl]sulfanylpropyl]guanidine
CID 54036039
6-((Trifluoromethyl)thio)pyrimidin-4-amine
CID 121320703
6-methylsulfonyl-N-(trifluoromethyl)pyrimidin-4-amine
CID 174285171
2-pyrimidin-4-ylsulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 63696083
2,2,2-trifluoro-N-(2-pyrimidin-4-ylsulfanylethyl)ethanamine
CID 63697860
6-fluoro-N-[(1-methylsulfanylcyclopropyl)methyl]pyrimidin-4-amine
CID 105826072

Frequently Asked Questions

What is the IUPAC name of 6-methylsulfanyl-N-[1-(trifluoromethyl)cyclopropyl]pyrimidin-4-amine?
The IUPAC name of 6-methylsulfanyl-N-[1-(trifluoromethyl)cyclopropyl]pyrimidin-4-amine (CID 106215025) is 6-methylsulfanyl-N-[1-(trifluoromethyl)cyclopropyl]pyrimidin-4-amine.
What is the SMILES notation for 6-methylsulfanyl-N-[1-(trifluoromethyl)cyclopropyl]pyrimidin-4-amine?
The canonical SMILES for 6-methylsulfanyl-N-[1-(trifluoromethyl)cyclopropyl]pyrimidin-4-amine is CSc1cc(NC2(C(F)(F)F)CC2)ncn1.
What is the InChIKey of 6-methylsulfanyl-N-[1-(trifluoromethyl)cyclopropyl]pyrimidin-4-amine?
The InChIKey is ATGIPNVRXPRFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3S/c1-16-7-4-6(13-5-14-7)15-8(2-3-8)9(10,11)12/h4-5H,2-3H2,1H3,(H,13,14,15).
What are the key properties of 6-methylsulfanyl-N-[1-(trifluoromethyl)cyclopropyl]pyrimidin-4-amine?
6-methylsulfanyl-N-[1-(trifluoromethyl)cyclopropyl]pyrimidin-4-amine has a molecular weight of 249.26 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfanyl-N-[1-(trifluoromethyl)cyclopropyl]pyrimidin-4-amine is sourced from PubChem (CID 106215025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).