4-N-[(3-chlorophenyl)methyl]-4-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine

C13H12ClF3N4 — CID 114564313

IUPAC4-N-[(3-chlorophenyl)methyl]-4-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCN(Cc1cccc(Cl)c1)c1cc(C(F)(F)F)nc(N)n1
InChIInChI=1S/C13H12ClF3N4/c1-21(7-8-3-2-4-9(14)5-8)11-6-10(13(15,16)17)19-12(18)20-11/h2-6H,7H2,1H3,(H2,18,19,20)
InChIKeyOEOJMYJIZTVHFL-UHFFFAOYSA-N
MW316.71 g/mol
LogP3.37
Rot. Bonds3

About 4-N-[(3-chlorophenyl)methyl]-4-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine

4-N-[(3-chlorophenyl)methyl]-4-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 114564313) has the molecular formula C13H12ClF3N4 and a molecular weight of 316.71 g/mol. Its IUPAC name is 4-N-[(3-chlorophenyl)methyl]-4-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(3-chlorophenyl)methyl]-4-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID114564313
Molecular FormulaC13H12ClF3N4
Molecular Weight316.71 g/mol
Exact Mass316.07
IUPAC Name4-N-[(3-chlorophenyl)methyl]-4-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCN(Cc1cccc(Cl)c1)c1cc(C(F)(F)F)nc(N)n1
InChIInChI=1S/C13H12ClF3N4/c1-21(7-8-3-2-4-9(14)5-8)11-6-10(13(15,16)17)19-12(18)20-11/h2-6H,7H2,1H3,(H2,18,19,20)
InChIKeyOEOJMYJIZTVHFL-UHFFFAOYSA-N
XLogP3.37
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.71
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(4-chlorophenyl)methyl]-4-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564315
6-N-[(3-chlorophenyl)methyl]-6-N-methylpyridine-2,6-diamine
CID 80646738
6-chloro-4-N-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 31537715
4-N-[(3-chlorophenyl)methyl]-2-cyclopropyl-4-N-methylpyrimidine-4,6-diamine
CID 80960822
1-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol
CID 114565428
6-(chloromethyl)-N-[(3-chlorophenyl)methyl]-N-methylpyridin-2-amine
CID 62255532
3-chloro-1-N-[(3-chlorophenyl)methyl]-1-N-methylbenzene-1,2-diamine
CID 104834227
N-[(3-chlorophenyl)methyl]-6-fluoro-N-methylpyrimidin-4-amine
CID 115416604
5-bromo-4-N-[(3-chlorophenyl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 80794744
N-[(3-chlorophenyl)methyl]-N-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 51300894
4-N-[(3-chlorophenyl)methyl]-4-N-methylbenzene-1,4-diamine
CID 28895019
1-N-[(3-chlorophenyl)methyl]-2,6-difluoro-1-N-methylbenzene-1,4-diamine
CID 61413666

Frequently Asked Questions

What is the IUPAC name of 4-N-[(3-chlorophenyl)methyl]-4-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(3-chlorophenyl)methyl]-4-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 114564313) is 4-N-[(3-chlorophenyl)methyl]-4-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(3-chlorophenyl)methyl]-4-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(3-chlorophenyl)methyl]-4-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine is CN(Cc1cccc(Cl)c1)c1cc(C(F)(F)F)nc(N)n1.
What is the InChIKey of 4-N-[(3-chlorophenyl)methyl]-4-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is OEOJMYJIZTVHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF3N4/c1-21(7-8-3-2-4-9(14)5-8)11-6-10(13(15,16)17)19-12(18)20-11/h2-6H,7H2,1H3,(H2,18,19,20).
What are the key properties of 4-N-[(3-chlorophenyl)methyl]-4-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-[(3-chlorophenyl)methyl]-4-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 316.71 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3-chlorophenyl)methyl]-4-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 114564313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).