6-methyl-2-[2-(trifluoromethoxy)ethylsulfanyl]pyrimidin-4-amine

C8H10F3N3OS — CID 115331100

IUPAC6-methyl-2-[2-(trifluoromethoxy)ethylsulfanyl]pyrimidin-4-amine
SMILESCc1cc(N)nc(SCCOC(F)(F)F)n1
InChIInChI=1S/C8H10F3N3OS/c1-5-4-6(12)14-7(13-5)16-3-2-15-8(9,10)11/h4H,2-3H2,1H3,(H2,12,13,14)
InChIKeyJXFKOCQHSCASMC-UHFFFAOYSA-N
MW253.25 g/mol
LogP2.00
Rot. Bonds4

About 6-methyl-2-[2-(trifluoromethoxy)ethylsulfanyl]pyrimidin-4-amine

6-methyl-2-[2-(trifluoromethoxy)ethylsulfanyl]pyrimidin-4-amine (PubChem CID 115331100) has the molecular formula C8H10F3N3OS and a molecular weight of 253.25 g/mol. Its IUPAC name is 6-methyl-2-[2-(trifluoromethoxy)ethylsulfanyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-[2-(trifluoromethoxy)ethylsulfanyl]pyrimidin-4-amine
PubChem CID115331100
Molecular FormulaC8H10F3N3OS
Molecular Weight253.25 g/mol
Exact Mass253.05
IUPAC Name6-methyl-2-[2-(trifluoromethoxy)ethylsulfanyl]pyrimidin-4-amine
SMILESCc1cc(N)nc(SCCOC(F)(F)F)n1
InChIInChI=1S/C8H10F3N3OS/c1-5-4-6(12)14-7(13-5)16-3-2-15-8(9,10)11/h4H,2-3H2,1H3,(H2,12,13,14)
InChIKeyJXFKOCQHSCASMC-UHFFFAOYSA-N
XLogP2.00
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluoroethylsulfanyl)-6-methylpyrimidin-4-amine
CID 79026200
2-(3-fluoropropylsulfanyl)-6-methylpyrimidin-4-amine
CID 81434419
6-methyl-2-(2-phenoxyethylsulfanyl)pyrimidin-4-amine
CID 47110969
4-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-2-methylbutan-2-ol
CID 79176670
2-(2-cyclopropylethylsulfanyl)-6-methylpyrimidin-4-amine
CID 115331181
2-[2-(2-ethoxyphenoxy)ethylsulfanyl]-6-methylpyrimidin-4-amine
CID 79035514
6-methyl-2-[2-(3-methylphenoxy)ethylsulfanyl]pyrimidin-4-amine
CID 40663342
2-(2-methoxyethylsulfanyl)-4,6-dimethylpyrimidine
CID 4204325
5-(4-amino-6-methylpyrimidin-2-yl)sulfanylpentan-1-ol
CID 60613840
6-methyl-2-pent-3-ynylsulfanylpyrimidin-4-amine
CID 104744126
methyl 3-(4-amino-6-methylpyrimidin-2-yl)sulfanylpropanoate
CID 115279578
2-(ethoxymethylsulfanyl)-6-methylpyrimidin-4-amine
CID 115331085

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[2-(trifluoromethoxy)ethylsulfanyl]pyrimidin-4-amine?
The IUPAC name of 6-methyl-2-[2-(trifluoromethoxy)ethylsulfanyl]pyrimidin-4-amine (CID 115331100) is 6-methyl-2-[2-(trifluoromethoxy)ethylsulfanyl]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-[2-(trifluoromethoxy)ethylsulfanyl]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-[2-(trifluoromethoxy)ethylsulfanyl]pyrimidin-4-amine is Cc1cc(N)nc(SCCOC(F)(F)F)n1.
What is the InChIKey of 6-methyl-2-[2-(trifluoromethoxy)ethylsulfanyl]pyrimidin-4-amine?
The InChIKey is JXFKOCQHSCASMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3OS/c1-5-4-6(12)14-7(13-5)16-3-2-15-8(9,10)11/h4H,2-3H2,1H3,(H2,12,13,14).
What are the key properties of 6-methyl-2-[2-(trifluoromethoxy)ethylsulfanyl]pyrimidin-4-amine?
6-methyl-2-[2-(trifluoromethoxy)ethylsulfanyl]pyrimidin-4-amine has a molecular weight of 253.25 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[2-(trifluoromethoxy)ethylsulfanyl]pyrimidin-4-amine is sourced from PubChem (CID 115331100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).