6-chloro-N-(2-methyl-2-methylsulfonylpropyl)-2-(trifluoromethyl)pyrimidin-4-amine

C10H13ClF3N3O2S — CID 106768061

IUPAC6-chloro-N-(2-methyl-2-methylsulfonylpropyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCC(C)(CNc1cc(Cl)nc(C(F)(F)F)n1)S(C)(=O)=O
InChIInChI=1S/C10H13ClF3N3O2S/c1-9(2,20(3,18)19)5-15-7-4-6(11)16-8(17-7)10(12,13)14/h4H,5H2,1-3H3,(H,15,16,17)
InChIKeyAGKGKSZHDFDEJR-UHFFFAOYSA-N
MW331.75 g/mol
LogP2.38
Rot. Bonds4

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

6-chloro-N-(2-methyl-2-methylsulfonylpropyl)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106768061) has the molecular formula C10H13ClF3N3O2S and a molecular weight of 331.75 g/mol. Its IUPAC name is 6-chloro-N-(2-methyl-2-methylsulfonylpropyl)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2-methyl-2-methylsulfonylpropyl)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106768061
Molecular FormulaC10H13ClF3N3O2S
Molecular Weight331.75 g/mol
Exact Mass331.04
IUPAC Name6-chloro-N-(2-methyl-2-methylsulfonylpropyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCC(C)(CNc1cc(Cl)nc(C(F)(F)F)n1)S(C)(=O)=O
InChIInChI=1S/C10H13ClF3N3O2S/c1-9(2,20(3,18)19)5-15-7-4-6(11)16-8(17-7)10(12,13)14/h4H,5H2,1-3H3,(H,15,16,17)
InChIKeyAGKGKSZHDFDEJR-UHFFFAOYSA-N
XLogP2.38
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.75
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-dichloro-N-(1,1-dioxothiolan-3-yl)pyrimidin-4-amine
CID 178300085
6-chloro-N-(2,2-difluoroethyl)-2-methylpyrimidin-4-amine
CID 79098170
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-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 62481119
6-chloro-2-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 63227596

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-methyl-2-methylsulfonylpropyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2-methyl-2-methylsulfonylpropyl)-2-(trifluoromethyl)pyrimidin-4-amine (CID 106768061) is 6-chloro-N-(2-methyl-2-methylsulfonylpropyl)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2-methyl-2-methylsulfonylpropyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2-methyl-2-methylsulfonylpropyl)-2-(trifluoromethyl)pyrimidin-4-amine is CC(C)(CNc1cc(Cl)nc(C(F)(F)F)n1)S(C)(=O)=O.
What is the InChIKey of 6-chloro-N-(2-methyl-2-methylsulfonylpropyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is AGKGKSZHDFDEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF3N3O2S/c1-9(2,20(3,18)19)5-15-7-4-6(11)16-8(17-7)10(12,13)14/h4H,5H2,1-3H3,(H,15,16,17).
What are the key properties of 6-chloro-N-(2-methyl-2-methylsulfonylpropyl)-2-(trifluoromethyl)pyrimidin-4-amine?
6-chloro-N-(2-methyl-2-methylsulfonylpropyl)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 331.75 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-methyl-2-methylsulfonylpropyl)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106768061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).