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

C19H17F3N4 — CID 112927359

IUPAC6-methyl-4-N-(4-methylphenyl)-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESCc1ccc(Nc2cc(C)nc(Nc3ccccc3C(F)(F)F)n2)cc1
InChIInChI=1S/C19H17F3N4/c1-12-7-9-14(10-8-12)24-17-11-13(2)23-18(26-17)25-16-6-4-3-5-15(16)19(20,21)22/h3-11H,1-2H3,(H2,23,24,25,26)
InChIKeyZGWGUXORCVCWBD-UHFFFAOYSA-N
MW358.37 g/mol
LogP5.60
Rot. Bonds4

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

6-methyl-4-N-(4-methylphenyl)-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (PubChem CID 112927359) has the molecular formula C19H17F3N4 and a molecular weight of 358.37 g/mol. Its IUPAC name is 6-methyl-4-N-(4-methylphenyl)-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-4-N-(4-methylphenyl)-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
PubChem CID112927359
Molecular FormulaC19H17F3N4
Molecular Weight358.37 g/mol
Exact Mass358.14
IUPAC Name6-methyl-4-N-(4-methylphenyl)-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESCc1ccc(Nc2cc(C)nc(Nc3ccccc3C(F)(F)F)n2)cc1
InChIInChI=1S/C19H17F3N4/c1-12-7-9-14(10-8-12)24-17-11-13(2)23-18(26-17)25-16-6-4-3-5-15(16)19(20,21)22/h3-11H,1-2H3,(H2,23,24,25,26)
InChIKeyZGWGUXORCVCWBD-UHFFFAOYSA-N
XLogP5.60
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.37
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(4-chlorophenyl)-6-methyl-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112929807
2-N-(4-methoxyphenyl)-6-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112930727
4-N-(2-methoxy-5-methylphenyl)-6-methyl-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112930961
2-N-(2,4-difluorophenyl)-6-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112931279
6-methyl-2-N,4-N-bis(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927319
6-methyl-2-N-quinolin-8-yl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112931278
2-N-(2-ethoxyphenyl)-6-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112930829
2-N-(3-methoxyphenyl)-6-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112930615
2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]benzonitrile
CID 112927391
2-N-butan-2-yl-6-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112909173
4-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112926975
2-chloro-6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 62476740

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-N-(4-methylphenyl)-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-4-N-(4-methylphenyl)-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (CID 112927359) is 6-methyl-4-N-(4-methylphenyl)-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-4-N-(4-methylphenyl)-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-4-N-(4-methylphenyl)-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is Cc1ccc(Nc2cc(C)nc(Nc3ccccc3C(F)(F)F)n2)cc1.
What is the InChIKey of 6-methyl-4-N-(4-methylphenyl)-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The InChIKey is ZGWGUXORCVCWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4/c1-12-7-9-14(10-8-12)24-17-11-13(2)23-18(26-17)25-16-6-4-3-5-15(16)19(20,21)22/h3-11H,1-2H3,(H2,23,24,25,26).
What are the key properties of 6-methyl-4-N-(4-methylphenyl)-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
6-methyl-4-N-(4-methylphenyl)-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine has a molecular weight of 358.37 g/mol, XLogP of 5.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-N-(4-methylphenyl)-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 112927359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).