6-methylsulfanyl-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine

C8H9F4N3S — CID 106293804

IUPAC6-methylsulfanyl-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine
SMILESCSc1cc(NCC(F)(F)C(F)F)ncn1
InChIInChI=1S/C8H9F4N3S/c1-16-6-2-5(14-4-15-6)13-3-8(11,12)7(9)10/h2,4,7H,3H2,1H3,(H,13,14,15)
InChIKeyDXDRXUKMXYSXIY-UHFFFAOYSA-N
MW255.24 g/mol
LogP2.51
Rot. Bonds5

About 6-methylsulfanyl-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine

6-methylsulfanyl-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine (PubChem CID 106293804) has the molecular formula C8H9F4N3S and a molecular weight of 255.24 g/mol. Its IUPAC name is 6-methylsulfanyl-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methylsulfanyl-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine
PubChem CID106293804
Molecular FormulaC8H9F4N3S
Molecular Weight255.24 g/mol
Exact Mass255.05
IUPAC Name6-methylsulfanyl-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine
SMILESCSc1cc(NCC(F)(F)C(F)F)ncn1
InChIInChI=1S/C8H9F4N3S/c1-16-6-2-5(14-4-15-6)13-3-8(11,12)7(9)10/h2,4,7H,3H2,1H3,(H,13,14,15)
InChIKeyDXDRXUKMXYSXIY-UHFFFAOYSA-N
XLogP2.51
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

6-(Methylsulfanyl)pyrimidin-4-amine
CID 238575
4,6-Bis(methylthio)pyrimidine
CID 238759
4-Isobutylsulfanyl-2,6-diisobutylamino-pyrimidine
CID 25130897
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-Methyl-3-[3-[2-(trifluoromethyl)pyrimidin-4-yl]sulfanylpropyl]thiourea
CID 20557675
N'-(2,2,2-trifluoroethyl)-4-[4-[[N'-(2,2,2-trifluoroethyl)carbamimidoyl]amino]pyrimidin-2-yl]sulfanylbutanimidamide
CID 21279829
4-[2-(2,2,3,3-Tetrafluoropropyl)guanidino]-2-[3-aminopropylthio]pyrimidine
CID 21298702
4-[2-(2,2,2-Trifluoroethyl)guanidino]-2-(3-aminopropylthio)pyrimidine
CID 21298711

Frequently Asked Questions

What is the IUPAC name of 6-methylsulfanyl-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine?
The IUPAC name of 6-methylsulfanyl-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine (CID 106293804) is 6-methylsulfanyl-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine.
What is the SMILES notation for 6-methylsulfanyl-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine?
The canonical SMILES for 6-methylsulfanyl-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine is CSc1cc(NCC(F)(F)C(F)F)ncn1.
What is the InChIKey of 6-methylsulfanyl-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine?
The InChIKey is DXDRXUKMXYSXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F4N3S/c1-16-6-2-5(14-4-15-6)13-3-8(11,12)7(9)10/h2,4,7H,3H2,1H3,(H,13,14,15).
What are the key properties of 6-methylsulfanyl-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine?
6-methylsulfanyl-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine has a molecular weight of 255.24 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfanyl-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine is sourced from PubChem (CID 106293804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).