[2-methylsulfanyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanamine

C10H8F6N4S — CID 170875348

IUPAC[2-methylsulfanyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanamine
SMILESCSc1nn2c(C(F)(F)F)cc(C(F)(F)F)nc2c1CN
InChIInChI=1S/C10H8F6N4S/c1-21-8-4(3-17)7-18-5(9(11,12)13)2-6(10(14,15)16)20(7)19-8/h2H,3,17H2,1H3
InChIKeyMIXLZLNDHBRSFB-UHFFFAOYSA-N
MW330.26 g/mol
LogP2.95
Rot. Bonds2

About [2-methylsulfanyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanamine

[2-methylsulfanyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanamine (PubChem CID 170875348) has the molecular formula C10H8F6N4S and a molecular weight of 330.26 g/mol. Its IUPAC name is [2-methylsulfanyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanamine.

Molecular Properties

Compound Name[2-methylsulfanyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanamine
PubChem CID170875348
Molecular FormulaC10H8F6N4S
Molecular Weight330.26 g/mol
Exact Mass330.04
IUPAC Name[2-methylsulfanyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanamine
SMILESCSc1nn2c(C(F)(F)F)cc(C(F)(F)F)nc2c1CN
InChIInChI=1S/C10H8F6N4S/c1-21-8-4(3-17)7-18-5(9(11,12)13)2-6(10(14,15)16)20(7)19-8/h2H,3,17H2,1H3
InChIKeyMIXLZLNDHBRSFB-UHFFFAOYSA-N
XLogP2.95
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.26
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-methylsulfanyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanamine?
The IUPAC name of [2-methylsulfanyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanamine (CID 170875348) is [2-methylsulfanyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanamine.
What is the SMILES notation for [2-methylsulfanyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanamine?
The canonical SMILES for [2-methylsulfanyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanamine is CSc1nn2c(C(F)(F)F)cc(C(F)(F)F)nc2c1CN.
What is the InChIKey of [2-methylsulfanyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanamine?
The InChIKey is MIXLZLNDHBRSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F6N4S/c1-21-8-4(3-17)7-18-5(9(11,12)13)2-6(10(14,15)16)20(7)19-8/h2H,3,17H2,1H3.
What are the key properties of [2-methylsulfanyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanamine?
[2-methylsulfanyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanamine has a molecular weight of 330.26 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methylsulfanyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanamine is sourced from PubChem (CID 170875348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).