N-methyl-2-methylsulfanyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine

C10H10F3N5S — CID 80868890

IUPACN-methyl-2-methylsulfanyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
SMILESCNc1cc(-n2cc(C(F)(F)F)cn2)nc(SC)n1
InChIInChI=1S/C10H10F3N5S/c1-14-7-3-8(17-9(16-7)19-2)18-5-6(4-15-18)10(11,12)13/h3-5H,1-2H3,(H,14,16,17)
InChIKeyQBCJJJXCRWQRFR-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.44
Rot. Bonds3

About N-methyl-2-methylsulfanyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine

N-methyl-2-methylsulfanyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine (PubChem CID 80868890) has the molecular formula C10H10F3N5S and a molecular weight of 289.29 g/mol. Its IUPAC name is N-methyl-2-methylsulfanyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-methylsulfanyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
PubChem CID80868890
Molecular FormulaC10H10F3N5S
Molecular Weight289.29 g/mol
Exact Mass289.06
IUPAC NameN-methyl-2-methylsulfanyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
SMILESCNc1cc(-n2cc(C(F)(F)F)cn2)nc(SC)n1
InChIInChI=1S/C10H10F3N5S/c1-14-7-3-8(17-9(16-7)19-2)18-5-6(4-15-18)10(11,12)13/h3-5H,1-2H3,(H,14,16,17)
InChIKeyQBCJJJXCRWQRFR-UHFFFAOYSA-N
XLogP2.44
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-methylsulfanyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine?
The IUPAC name of N-methyl-2-methylsulfanyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine (CID 80868890) is N-methyl-2-methylsulfanyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-2-methylsulfanyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine?
The canonical SMILES for N-methyl-2-methylsulfanyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine is CNc1cc(-n2cc(C(F)(F)F)cn2)nc(SC)n1.
What is the InChIKey of N-methyl-2-methylsulfanyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine?
The InChIKey is QBCJJJXCRWQRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5S/c1-14-7-3-8(17-9(16-7)19-2)18-5-6(4-15-18)10(11,12)13/h3-5H,1-2H3,(H,14,16,17).
What are the key properties of N-methyl-2-methylsulfanyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine?
N-methyl-2-methylsulfanyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine has a molecular weight of 289.29 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methylsulfanyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 80868890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).