2-N-methyl-4-N-(3-methylsulfinylpropyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine

C10H15F3N4OS — CID 114565868

IUPAC2-N-methyl-4-N-(3-methylsulfinylpropyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(NCCCS(C)=O)cc(C(F)(F)F)n1
InChIInChI=1S/C10H15F3N4OS/c1-14-9-16-7(10(11,12)13)6-8(17-9)15-4-3-5-19(2)18/h6H,3-5H2,1-2H3,(H2,14,15,16,17)
InChIKeyZQWRJXCIQUOHKT-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.72
Rot. Bonds6

About 2-N-methyl-4-N-(3-methylsulfinylpropyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine

2-N-methyl-4-N-(3-methylsulfinylpropyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 114565868) has the molecular formula C10H15F3N4OS and a molecular weight of 296.32 g/mol. Its IUPAC name is 2-N-methyl-4-N-(3-methylsulfinylpropyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-4-N-(3-methylsulfinylpropyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID114565868
Molecular FormulaC10H15F3N4OS
Molecular Weight296.32 g/mol
Exact Mass296.09
IUPAC Name2-N-methyl-4-N-(3-methylsulfinylpropyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(NCCCS(C)=O)cc(C(F)(F)F)n1
InChIInChI=1S/C10H15F3N4OS/c1-14-9-16-7(10(11,12)13)6-8(17-9)15-4-3-5-19(2)18/h6H,3-5H2,1-2H3,(H2,14,15,16,17)
InChIKeyZQWRJXCIQUOHKT-UHFFFAOYSA-N
XLogP1.72
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-Ethyl-6-methyl-2-(methylsulfanyl)pyrimidin-4-amine
CID 57606957
3-[[4-(Dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]-2-methylsulfanylbutan-1-ol
CID 71874713
2-methoxy-6-methyl-N-(1-oxothiolan-3-yl)pyrimidin-4-amine
CID 132354303
N-(1,1-dioxothian-4-yl)-2-methoxy-6-methylpyrimidin-4-amine
CID 138022728
N-methyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 1484753
2-N-ethyl-4-N-propan-2-yl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 13883405
N,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 33697926
6-(Trifluoromethyl)-N,2-dimethylpyrimidin-4-amine
CID 55212035
[4-(Ethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]cyanamide
CID 57036482
2,6-dimethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 60922970
4-Methyl-2-methylthio-6-(2,2,2-trifluoroethylamino)pyrimidine
CID 67349258
2-chloro-N-ethyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 82460834

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-4-N-(3-methylsulfinylpropyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-methyl-4-N-(3-methylsulfinylpropyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 114565868) is 2-N-methyl-4-N-(3-methylsulfinylpropyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-methyl-4-N-(3-methylsulfinylpropyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-methyl-4-N-(3-methylsulfinylpropyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine is CNc1nc(NCCCS(C)=O)cc(C(F)(F)F)n1.
What is the InChIKey of 2-N-methyl-4-N-(3-methylsulfinylpropyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is ZQWRJXCIQUOHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4OS/c1-14-9-16-7(10(11,12)13)6-8(17-9)15-4-3-5-19(2)18/h6H,3-5H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 2-N-methyl-4-N-(3-methylsulfinylpropyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
2-N-methyl-4-N-(3-methylsulfinylpropyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 296.32 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-4-N-(3-methylsulfinylpropyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 114565868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).