2-N-ethyl-4-N-(1-methylsulfonylpropan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine

C11H17F3N4O2S — CID 114565253

IUPAC2-N-ethyl-4-N-(1-methylsulfonylpropan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCNc1nc(NC(C)CS(C)(=O)=O)cc(C(F)(F)F)n1
InChIInChI=1S/C11H17F3N4O2S/c1-4-15-10-17-8(11(12,13)14)5-9(18-10)16-7(2)6-21(3,19)20/h5,7H,4,6H2,1-3H3,(H2,15,16,17,18)
InChIKeyZJXQDICMNOMACD-UHFFFAOYSA-N
MW326.34 g/mol
LogP1.77
Rot. Bonds6

About 2-N-ethyl-4-N-(1-methylsulfonylpropan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine

2-N-ethyl-4-N-(1-methylsulfonylpropan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 114565253) has the molecular formula C11H17F3N4O2S and a molecular weight of 326.34 g/mol. Its IUPAC name is 2-N-ethyl-4-N-(1-methylsulfonylpropan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-(1-methylsulfonylpropan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID114565253
Molecular FormulaC11H17F3N4O2S
Molecular Weight326.34 g/mol
Exact Mass326.10
IUPAC Name2-N-ethyl-4-N-(1-methylsulfonylpropan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCNc1nc(NC(C)CS(C)(=O)=O)cc(C(F)(F)F)n1
InChIInChI=1S/C11H17F3N4O2S/c1-4-15-10-17-8(11(12,13)14)5-9(18-10)16-7(2)6-21(3,19)20/h5,7H,4,6H2,1-3H3,(H2,15,16,17,18)
InChIKeyZJXQDICMNOMACD-UHFFFAOYSA-N
XLogP1.77
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(1-ethoxypropan-2-yl)-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564720
N-ethyl-2-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide
CID 114564470
2-tert-butyl-6-N-ethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-4,6-diamine
CID 80959559
3-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-1-ol
CID 114565912
6-N-ethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-2,4,6-triamine
CID 80844221
3-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutan-2-ol
CID 114565964
3-[[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-1-ol
CID 114565668
4-N-(1-cyclopropylbutan-2-yl)-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565160
2-N-ethyl-4-N-(1-methoxypentan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565215
N-ethyl-4-(2-methylsulfonylethylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566632
3-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]propane-1-sulfonamide
CID 114564759
3-[[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butanamide
CID 114565928

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-(1-methylsulfonylpropan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-(1-methylsulfonylpropan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 114565253) is 2-N-ethyl-4-N-(1-methylsulfonylpropan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-(1-methylsulfonylpropan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-(1-methylsulfonylpropan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine is CCNc1nc(NC(C)CS(C)(=O)=O)cc(C(F)(F)F)n1.
What is the InChIKey of 2-N-ethyl-4-N-(1-methylsulfonylpropan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is ZJXQDICMNOMACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O2S/c1-4-15-10-17-8(11(12,13)14)5-9(18-10)16-7(2)6-21(3,19)20/h5,7H,4,6H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 2-N-ethyl-4-N-(1-methylsulfonylpropan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
2-N-ethyl-4-N-(1-methylsulfonylpropan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 326.34 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-(1-methylsulfonylpropan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 114565253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).