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

C13H15F3N4S — CID 114564361

IUPAC4-N-ethyl-2-N-methyl-4-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCN(Cc1cccs1)c1cc(C(F)(F)F)nc(NC)n1
InChIInChI=1S/C13H15F3N4S/c1-3-20(8-9-5-4-6-21-9)11-7-10(13(14,15)16)18-12(17-2)19-11/h4-7H,3,8H2,1-2H3,(H,17,18,19)
InChIKeyALKRBOXUWXIUNC-UHFFFAOYSA-N
MW316.35 g/mol
LogP3.63
Rot. Bonds5

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

4-N-ethyl-2-N-methyl-4-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 114564361) has the molecular formula C13H15F3N4S and a molecular weight of 316.35 g/mol. Its IUPAC name is 4-N-ethyl-2-N-methyl-4-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-2-N-methyl-4-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID114564361
Molecular FormulaC13H15F3N4S
Molecular Weight316.35 g/mol
Exact Mass316.10
IUPAC Name4-N-ethyl-2-N-methyl-4-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCN(Cc1cccs1)c1cc(C(F)(F)F)nc(NC)n1
InChIInChI=1S/C13H15F3N4S/c1-3-20(8-9-5-4-6-21-9)11-7-10(13(14,15)16)18-12(17-2)19-11/h4-7H,3,8H2,1-2H3,(H,17,18,19)
InChIKeyALKRBOXUWXIUNC-UHFFFAOYSA-N
XLogP3.63
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-N-ethyl-2-N-methyl-4-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine with MolForge

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Related Compounds

4-N-ethyl-4-N-(furan-2-ylmethyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564325
2-hydrazinyl-N-methyl-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114566951
4-N-[3-(dimethylamino)propyl]-4-N-ethyl-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 102998866
2-N,4-N-diethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80798994
N-ethyl-5-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine
CID 107379721
4-N,6-N,2-triethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80933060
6-chloro-N-ethyl-2-propyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80938995
2-N-ethyl-4-N-(2-thiophen-2-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563913
2-N,6-N-diethyl-6-N-(thiophen-2-ylmethyl)pyridine-2,6-diamine
CID 80798911
6-chloro-N-ethyl-2-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80953358
2-N,6-dimethyl-4-N-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80809499
1-N-ethyl-1-N-(thiophen-2-ylmethyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 61436608

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-2-N-methyl-4-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-ethyl-2-N-methyl-4-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 114564361) is 4-N-ethyl-2-N-methyl-4-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-2-N-methyl-4-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-2-N-methyl-4-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine is CCN(Cc1cccs1)c1cc(C(F)(F)F)nc(NC)n1.
What is the InChIKey of 4-N-ethyl-2-N-methyl-4-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is ALKRBOXUWXIUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4S/c1-3-20(8-9-5-4-6-21-9)11-7-10(13(14,15)16)18-12(17-2)19-11/h4-7H,3,8H2,1-2H3,(H,17,18,19).
What are the key properties of 4-N-ethyl-2-N-methyl-4-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-ethyl-2-N-methyl-4-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 316.35 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-2-N-methyl-4-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 114564361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).