2-N-ethyl-4-N-(2-thiophen-2-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine

C13H15F3N4S — CID 114563913

IUPAC2-N-ethyl-4-N-(2-thiophen-2-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCNc1nc(NCCc2cccs2)cc(C(F)(F)F)n1
InChIInChI=1S/C13H15F3N4S/c1-2-17-12-19-10(13(14,15)16)8-11(20-12)18-6-5-9-4-3-7-21-9/h3-4,7-8H,2,5-6H2,1H3,(H2,17,18,19,20)
InChIKeyGQUMEJDSBPTDRC-UHFFFAOYSA-N
MW316.35 g/mol
LogP3.64
Rot. Bonds6

About 2-N-ethyl-4-N-(2-thiophen-2-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine

2-N-ethyl-4-N-(2-thiophen-2-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 114563913) has the molecular formula C13H15F3N4S and a molecular weight of 316.35 g/mol. Its IUPAC name is 2-N-ethyl-4-N-(2-thiophen-2-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-(2-thiophen-2-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID114563913
Molecular FormulaC13H15F3N4S
Molecular Weight316.35 g/mol
Exact Mass316.10
IUPAC Name2-N-ethyl-4-N-(2-thiophen-2-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCNc1nc(NCCc2cccs2)cc(C(F)(F)F)n1
InChIInChI=1S/C13H15F3N4S/c1-2-17-12-19-10(13(14,15)16)8-11(20-12)18-6-5-9-4-3-7-21-9/h3-4,7-8H,2,5-6H2,1H3,(H2,17,18,19,20)
InChIKeyGQUMEJDSBPTDRC-UHFFFAOYSA-N
XLogP3.64
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 106042451
3-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]propane-1-sulfonamide
CID 114564759
2-ethyl-6-N-methyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine
CID 80934183
2-N-ethyl-4-N-(2-methylphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563569
4-N-cyclopentyl-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563838
2-N-ethyl-4-N-(4-methylphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563709
4-N-ethyl-2-N-methyl-4-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564361
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 106043835
6-N-propyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine
CID 80778240
2-(ethylamino)-N-(2-thiophen-2-ylethyl)pyrimidine-5-sulfonamide
CID 62144877
3-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide
CID 106280556
6-methyl-2-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 43395312

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-(2-thiophen-2-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-(2-thiophen-2-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 114563913) is 2-N-ethyl-4-N-(2-thiophen-2-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-(2-thiophen-2-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-(2-thiophen-2-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine is CCNc1nc(NCCc2cccs2)cc(C(F)(F)F)n1.
What is the InChIKey of 2-N-ethyl-4-N-(2-thiophen-2-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is GQUMEJDSBPTDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4S/c1-2-17-12-19-10(13(14,15)16)8-11(20-12)18-6-5-9-4-3-7-21-9/h3-4,7-8H,2,5-6H2,1H3,(H2,17,18,19,20).
What are the key properties of 2-N-ethyl-4-N-(2-thiophen-2-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
2-N-ethyl-4-N-(2-thiophen-2-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 316.35 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-(2-thiophen-2-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 114563913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).