6-chloro-N-(1-methylsulfonylpropan-2-yl)-2-(trifluoromethyl)pyrimidin-4-amine

C9H11ClF3N3O2S — CID 106767913

IUPAC6-chloro-N-(1-methylsulfonylpropan-2-yl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCC(CS(C)(=O)=O)Nc1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C9H11ClF3N3O2S/c1-5(4-19(2,17)18)14-7-3-6(10)15-8(16-7)9(11,12)13/h3,5H,4H2,1-2H3,(H,14,15,16)
InChIKeyUBFLTQYRKUKKMF-UHFFFAOYSA-N
MW317.72 g/mol
LogP1.99
Rot. Bonds4

About 6-chloro-N-(1-methylsulfonylpropan-2-yl)-2-(trifluoromethyl)pyrimidin-4-amine

6-chloro-N-(1-methylsulfonylpropan-2-yl)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106767913) has the molecular formula C9H11ClF3N3O2S and a molecular weight of 317.72 g/mol. Its IUPAC name is 6-chloro-N-(1-methylsulfonylpropan-2-yl)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(1-methylsulfonylpropan-2-yl)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106767913
Molecular FormulaC9H11ClF3N3O2S
Molecular Weight317.72 g/mol
Exact Mass317.02
IUPAC Name6-chloro-N-(1-methylsulfonylpropan-2-yl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCC(CS(C)(=O)=O)Nc1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C9H11ClF3N3O2S/c1-5(4-19(2,17)18)14-7-3-6(10)15-8(16-7)9(11,12)13/h3,5H,4H2,1-2H3,(H,14,15,16)
InChIKeyUBFLTQYRKUKKMF-UHFFFAOYSA-N
XLogP1.99
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.72
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-dichloro-N-(1,1-dioxothiolan-3-yl)pyrimidin-2-amine
CID 178295885
2,6-dichloro-N-(1,1-dioxothiolan-3-yl)pyrimidin-4-amine
CID 178300085
6-chloro-N-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-amine
CID 58336991
6-chloro-2-(1,1-difluoroethyl)-N-propan-2-ylpyrimidin-4-amine
CID 89879685
6-chloro-N-(4,4-difluorocyclohexyl)-2-methylsulfonylpyrimidin-4-amine
CID 139300256
6-chloro-N-methyl-N-[(4-methylsulfonylthiomorpholin-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 176387323
6-chloro-N-[(1,1-dioxo-1,4-thiazinan-2-yl)methyl]-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 176387382
6-chloro-N-methyl-N-[(4-methylsulfonyl-1,1-dioxo-1,4-thiazinan-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 176387394
6-chloro-N-methyl-N-(thiomorpholin-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 176387430
6-chloro-N-methyl-N-[(1-sulfanylidene-1,4-thiazinan-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 177059860
6-chloro-2-methylsulfanyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 80547075
6-chloro-2-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine
CID 103879883

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1-methylsulfonylpropan-2-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(1-methylsulfonylpropan-2-yl)-2-(trifluoromethyl)pyrimidin-4-amine (CID 106767913) is 6-chloro-N-(1-methylsulfonylpropan-2-yl)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(1-methylsulfonylpropan-2-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(1-methylsulfonylpropan-2-yl)-2-(trifluoromethyl)pyrimidin-4-amine is CC(CS(C)(=O)=O)Nc1cc(Cl)nc(C(F)(F)F)n1.
What is the InChIKey of 6-chloro-N-(1-methylsulfonylpropan-2-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is UBFLTQYRKUKKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF3N3O2S/c1-5(4-19(2,17)18)14-7-3-6(10)15-8(16-7)9(11,12)13/h3,5H,4H2,1-2H3,(H,14,15,16).
What are the key properties of 6-chloro-N-(1-methylsulfonylpropan-2-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
6-chloro-N-(1-methylsulfonylpropan-2-yl)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 317.72 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1-methylsulfonylpropan-2-yl)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106767913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).