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

C7H8F3N3O2S — CID 141212844

IUPACN-methyl-2-methylsulfonyl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCNc1cc(C(F)(F)F)nc(S(C)(=O)=O)n1
InChIInChI=1S/C7H8F3N3O2S/c1-11-5-3-4(7(8,9)10)12-6(13-5)16(2,14)15/h3H,1-2H3,(H,11,12,13)
InChIKeyUTWONCHHQDERHG-UHFFFAOYSA-N
MW255.22 g/mol
LogP0.94
Rot. Bonds2

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

N-methyl-2-methylsulfonyl-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 141212844) has the molecular formula C7H8F3N3O2S and a molecular weight of 255.22 g/mol. Its IUPAC name is N-methyl-2-methylsulfonyl-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-methylsulfonyl-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID141212844
Molecular FormulaC7H8F3N3O2S
Molecular Weight255.22 g/mol
Exact Mass255.03
IUPAC NameN-methyl-2-methylsulfonyl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCNc1cc(C(F)(F)F)nc(S(C)(=O)=O)n1
InChIInChI=1S/C7H8F3N3O2S/c1-11-5-3-4(7(8,9)10)12-6(13-5)16(2,14)15/h3H,1-2H3,(H,11,12,13)
InChIKeyUTWONCHHQDERHG-UHFFFAOYSA-N
XLogP0.94
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.22
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-methylsulfonyl-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-methyl-2-methylsulfonyl-6-(trifluoromethyl)pyrimidin-4-amine (CID 141212844) is N-methyl-2-methylsulfonyl-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-methyl-2-methylsulfonyl-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-methyl-2-methylsulfonyl-6-(trifluoromethyl)pyrimidin-4-amine is CNc1cc(C(F)(F)F)nc(S(C)(=O)=O)n1.
What is the InChIKey of N-methyl-2-methylsulfonyl-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is UTWONCHHQDERHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O2S/c1-11-5-3-4(7(8,9)10)12-6(13-5)16(2,14)15/h3H,1-2H3,(H,11,12,13).
What are the key properties of N-methyl-2-methylsulfonyl-6-(trifluoromethyl)pyrimidin-4-amine?
N-methyl-2-methylsulfonyl-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 255.22 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methylsulfonyl-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 141212844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).