2-N-ethyl-2-N-(3-methylphenyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

C20H19F3N4 — CID 112905566

IUPAC2-N-ethyl-2-N-(3-methylphenyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESCCN(c1cccc(C)c1)c1nccc(Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C20H19F3N4/c1-3-27(17-6-4-5-14(2)13-17)19-24-12-11-18(26-19)25-16-9-7-15(8-10-16)20(21,22)23/h4-13H,3H2,1-2H3,(H,24,25,26)
InChIKeyLFNBDIBOCRVHTP-UHFFFAOYSA-N
MW372.39 g/mol
LogP5.71
Rot. Bonds5

About 2-N-ethyl-2-N-(3-methylphenyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

2-N-ethyl-2-N-(3-methylphenyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (PubChem CID 112905566) has the molecular formula C20H19F3N4 and a molecular weight of 372.39 g/mol. Its IUPAC name is 2-N-ethyl-2-N-(3-methylphenyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-(3-methylphenyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
PubChem CID112905566
Molecular FormulaC20H19F3N4
Molecular Weight372.39 g/mol
Exact Mass372.16
IUPAC Name2-N-ethyl-2-N-(3-methylphenyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESCCN(c1cccc(C)c1)c1nccc(Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C20H19F3N4/c1-3-27(17-6-4-5-14(2)13-17)19-24-12-11-18(26-19)25-16-9-7-15(8-10-16)20(21,22)23/h4-13H,3H2,1-2H3,(H,24,25,26)
InChIKeyLFNBDIBOCRVHTP-UHFFFAOYSA-N
XLogP5.71
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.39
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2-ethoxyphenyl)-2-N-ethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112904861
2-N,2-N-dipropyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112901322
2-N-ethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 116796498
N-[4-[[3-(N-ethyl-3-methylanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide
CID 112968572
4-(aminomethyl)-N-ethyl-N-(3-methylphenyl)pyrimidin-2-amine
CID 107541695
3-N-ethyl-3-N-(3-methylphenyl)-5-N-(4-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964823
5-N-(3,4-dichlorophenyl)-3-N-ethyl-3-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112969527
2-N-(3,5-dimethylphenyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112902638
3-N-ethyl-3-N-(3-methylphenyl)-5-N-(4-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967888
4-N-(2,5-dimethylphenyl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112902505
2-(N-ethyl-3-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313600
5-N-(4-bromo-3-methylphenyl)-3-N-ethyl-3-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112969224

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-(3-methylphenyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-2-N-(3-methylphenyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (CID 112905566) is 2-N-ethyl-2-N-(3-methylphenyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-(3-methylphenyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-2-N-(3-methylphenyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is CCN(c1cccc(C)c1)c1nccc(Nc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 2-N-ethyl-2-N-(3-methylphenyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The InChIKey is LFNBDIBOCRVHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4/c1-3-27(17-6-4-5-14(2)13-17)19-24-12-11-18(26-19)25-16-9-7-15(8-10-16)20(21,22)23/h4-13H,3H2,1-2H3,(H,24,25,26).
What are the key properties of 2-N-ethyl-2-N-(3-methylphenyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
2-N-ethyl-2-N-(3-methylphenyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine has a molecular weight of 372.39 g/mol, XLogP of 5.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-(3-methylphenyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 112905566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).