N-ethyl-4-(2-methylthiomorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine

C12H17F3N4S — CID 114565946

IUPACN-ethyl-4-(2-methylthiomorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCNc1nc(N2CCSC(C)C2)cc(C(F)(F)F)n1
InChIInChI=1S/C12H17F3N4S/c1-3-16-11-17-9(12(13,14)15)6-10(18-11)19-4-5-20-8(2)7-19/h6,8H,3-5,7H2,1-2H3,(H,16,17,18)
InChIKeyWMAMXHKHGJVGBC-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.87
Rot. Bonds3

About N-ethyl-4-(2-methylthiomorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine

N-ethyl-4-(2-methylthiomorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 114565946) has the molecular formula C12H17F3N4S and a molecular weight of 306.36 g/mol. Its IUPAC name is N-ethyl-4-(2-methylthiomorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(2-methylthiomorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID114565946
Molecular FormulaC12H17F3N4S
Molecular Weight306.36 g/mol
Exact Mass306.11
IUPAC NameN-ethyl-4-(2-methylthiomorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCNc1nc(N2CCSC(C)C2)cc(C(F)(F)F)n1
InChIInChI=1S/C12H17F3N4S/c1-3-16-11-17-9(12(13,14)15)6-10(18-11)19-4-5-20-8(2)7-19/h6,8H,3-5,7H2,1-2H3,(H,16,17,18)
InChIKeyWMAMXHKHGJVGBC-UHFFFAOYSA-N
XLogP2.87
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-ol
CID 114563784
4-(3-methylpiperidin-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563756
4-(2,2-dimethylmorpholin-4-yl)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114564198
4-(2,5-dimethylmorpholin-4-yl)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114564122
4-(3-ethylpyrrolidin-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114565756
4-(3-ethyl-4-methylpiperazin-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114565070
N-ethyl-4-pyrazol-1-yl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566044
[4-(3-ethyl-4-methylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567233
[4-(3-methoxypiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 102972022
[4-(2,6-dimethylmorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567450
4-(4-cyclopropylpiperazin-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114564374
1-tert-butyl-3-[4-(3-methylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]thiourea
CID 133254321

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-methylthiomorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-ethyl-4-(2-methylthiomorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine (CID 114565946) is N-ethyl-4-(2-methylthiomorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-(2-methylthiomorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-(2-methylthiomorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine is CCNc1nc(N2CCSC(C)C2)cc(C(F)(F)F)n1.
What is the InChIKey of N-ethyl-4-(2-methylthiomorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is WMAMXHKHGJVGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4S/c1-3-16-11-17-9(12(13,14)15)6-10(18-11)19-4-5-20-8(2)7-19/h6,8H,3-5,7H2,1-2H3,(H,16,17,18).
What are the key properties of N-ethyl-4-(2-methylthiomorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
N-ethyl-4-(2-methylthiomorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 306.36 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-methylthiomorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 114565946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).