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

C12H13F3N4S — CID 106772464

IUPAC4-N-methyl-4-N-(2-thiophen-2-ylethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCN(CCc1cccs1)c1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C12H13F3N4S/c1-19(5-4-8-3-2-6-20-8)10-7-9(16)17-11(18-10)12(13,14)15/h2-3,6-7H,4-5H2,1H3,(H2,16,17,18)
InChIKeyIMWUORQOCYMQBX-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.82
Rot. Bonds4

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

4-N-methyl-4-N-(2-thiophen-2-ylethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine (PubChem CID 106772464) has the molecular formula C12H13F3N4S and a molecular weight of 302.33 g/mol. Its IUPAC name is 4-N-methyl-4-N-(2-thiophen-2-ylethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(2-thiophen-2-ylethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
PubChem CID106772464
Molecular FormulaC12H13F3N4S
Molecular Weight302.33 g/mol
Exact Mass302.08
IUPAC Name4-N-methyl-4-N-(2-thiophen-2-ylethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCN(CCc1cccs1)c1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C12H13F3N4S/c1-19(5-4-8-3-2-6-20-8)10-7-9(16)17-11(18-10)12(13,14)15/h2-3,6-7H,4-5H2,1H3,(H2,16,17,18)
InChIKeyIMWUORQOCYMQBX-UHFFFAOYSA-N
XLogP2.82
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-methyl-4-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770641
6-N-methyl-6-N-(2-thiophen-2-ylethyl)pyridine-2,6-diamine
CID 80652044
4-N-[(4-bromothiophen-2-yl)methyl]-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771349
4-N-butyl-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106769909
4-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771529
2-N,4-dimethyl-2-N-(2-thiophen-2-ylethyl)pyridine-2,5-diamine
CID 79475919
4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771484
2-tert-butyl-4-N-methyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80959395
4-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pyridin-2-amine
CID 79470037
5-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pyridin-2-amine
CID 79470640
5-amino-2-[methyl(2-thiophen-2-ylethyl)amino]pyridine-4-carboxamide
CID 114090453
2-hydrazinyl-N-methyl-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114566951

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(2-thiophen-2-ylethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-methyl-4-N-(2-thiophen-2-ylethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine (CID 106772464) is 4-N-methyl-4-N-(2-thiophen-2-ylethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(2-thiophen-2-ylethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-methyl-4-N-(2-thiophen-2-ylethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine is CN(CCc1cccs1)c1cc(N)nc(C(F)(F)F)n1.
What is the InChIKey of 4-N-methyl-4-N-(2-thiophen-2-ylethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The InChIKey is IMWUORQOCYMQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4S/c1-19(5-4-8-3-2-6-20-8)10-7-9(16)17-11(18-10)12(13,14)15/h2-3,6-7H,4-5H2,1H3,(H2,16,17,18).
What are the key properties of 4-N-methyl-4-N-(2-thiophen-2-ylethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
4-N-methyl-4-N-(2-thiophen-2-ylethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine has a molecular weight of 302.33 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(2-thiophen-2-ylethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106772464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).