N-methyl-4-phenylsulfanyl-6-(trifluoromethyl)pyrimidin-2-amine

C12H10F3N3S — CID 1483266

IUPACN-methyl-4-phenylsulfanyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCNc1nc(Sc2ccccc2)cc(C(F)(F)F)n1
InChIInChI=1S/C12H10F3N3S/c1-16-11-17-9(12(13,14)15)7-10(18-11)19-8-5-3-2-4-6-8/h2-7H,1H3,(H,16,17,18)
InChIKeyMLVFPVIOWVSFJH-UHFFFAOYSA-N
MW285.29 g/mol
LogP3.69
Rot. Bonds3

About N-methyl-4-phenylsulfanyl-6-(trifluoromethyl)pyrimidin-2-amine

N-methyl-4-phenylsulfanyl-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 1483266) has the molecular formula C12H10F3N3S and a molecular weight of 285.29 g/mol. Its IUPAC name is N-methyl-4-phenylsulfanyl-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-4-phenylsulfanyl-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID1483266
Molecular FormulaC12H10F3N3S
Molecular Weight285.29 g/mol
Exact Mass285.05
IUPAC NameN-methyl-4-phenylsulfanyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCNc1nc(Sc2ccccc2)cc(C(F)(F)F)n1
InChIInChI=1S/C12H10F3N3S/c1-16-11-17-9(12(13,14)15)7-10(18-11)19-8-5-3-2-4-6-8/h2-7H,1H3,(H,16,17,18)
InChIKeyMLVFPVIOWVSFJH-UHFFFAOYSA-N
XLogP3.69
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-phenylsulfanyl-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-methyl-4-phenylsulfanyl-6-(trifluoromethyl)pyrimidin-2-amine (CID 1483266) is N-methyl-4-phenylsulfanyl-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-methyl-4-phenylsulfanyl-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-methyl-4-phenylsulfanyl-6-(trifluoromethyl)pyrimidin-2-amine is CNc1nc(Sc2ccccc2)cc(C(F)(F)F)n1.
What is the InChIKey of N-methyl-4-phenylsulfanyl-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is MLVFPVIOWVSFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3S/c1-16-11-17-9(12(13,14)15)7-10(18-11)19-8-5-3-2-4-6-8/h2-7H,1H3,(H,16,17,18).
What are the key properties of N-methyl-4-phenylsulfanyl-6-(trifluoromethyl)pyrimidin-2-amine?
N-methyl-4-phenylsulfanyl-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 285.29 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-phenylsulfanyl-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 1483266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).