2-N,6-dimethyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

C13H13F3N4 — CID 80760167

IUPAC2-N,6-dimethyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESCNc1nc(C)cc(Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C13H13F3N4/c1-8-7-11(20-12(17-2)18-8)19-10-5-3-9(4-6-10)13(14,15)16/h3-7H,1-2H3,(H2,17,18,19,20)
InChIKeyCYYICWYFXQMUJX-UHFFFAOYSA-N
MW282.27 g/mol
LogP3.59
Rot. Bonds3

About 2-N,6-dimethyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

2-N,6-dimethyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (PubChem CID 80760167) has the molecular formula C13H13F3N4 and a molecular weight of 282.27 g/mol. Its IUPAC name is 2-N,6-dimethyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,6-dimethyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
PubChem CID80760167
Molecular FormulaC13H13F3N4
Molecular Weight282.27 g/mol
Exact Mass282.11
IUPAC Name2-N,6-dimethyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESCNc1nc(C)cc(Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C13H13F3N4/c1-8-7-11(20-12(17-2)18-8)19-10-5-3-9(4-6-10)13(14,15)16/h3-7H,1-2H3,(H2,17,18,19,20)
InChIKeyCYYICWYFXQMUJX-UHFFFAOYSA-N
XLogP3.59
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(3,4-dimethylphenyl)-2-N,6-dimethylpyrimidine-2,4-diamine
CID 80754824
6-methyl-2-N-[4-(trifluoromethyl)phenyl]-4-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine
CID 112931359
2-N-[(2-chlorophenyl)methyl]-6-methyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112917931
4-N-(4-fluoro-3-methylphenyl)-2-N,6-dimethylpyrimidine-2,4-diamine
CID 80824530
6-methyl-2-N-(pyridin-3-ylmethyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112919664
4-N-cycloheptyl-6-methyl-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112924917
6-methyl-2-N,4-N-bis(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927319
2-N-[4-(dimethylamino)phenyl]-6-methyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112931305
6-methyl-2-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 112914072
N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 121075086
2-N,6-dimethyl-4-N-thiophen-3-ylpyrimidine-2,4-diamine
CID 80850538
6-hydrazinyl-2-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 80919814

Frequently Asked Questions

What is the IUPAC name of 2-N,6-dimethyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N,6-dimethyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (CID 80760167) is 2-N,6-dimethyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,6-dimethyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,6-dimethyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is CNc1nc(C)cc(Nc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 2-N,6-dimethyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The InChIKey is CYYICWYFXQMUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4/c1-8-7-11(20-12(17-2)18-8)19-10-5-3-9(4-6-10)13(14,15)16/h3-7H,1-2H3,(H2,17,18,19,20).
What are the key properties of 2-N,6-dimethyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
2-N,6-dimethyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine has a molecular weight of 282.27 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-dimethyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80760167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).