4-N-ethyl-6-N-(4-fluorophenyl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine

C19H20FN5 — CID 22539360

IUPAC4-N-ethyl-6-N-(4-fluorophenyl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
SMILESCCN(c1cccc(C)c1)c1ncnc(Nc2ccc(F)cc2)c1N
InChIInChI=1S/C19H20FN5/c1-3-25(16-6-4-5-13(2)11-16)19-17(21)18(22-12-23-19)24-15-9-7-14(20)8-10-15/h4-12H,3,21H2,1-2H3,(H,22,23,24)
InChIKeyFLKGGEOUAWPZIY-UHFFFAOYSA-N
MW337.40 g/mol
LogP4.41
Rot. Bonds5

About 4-N-ethyl-6-N-(4-fluorophenyl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine

4-N-ethyl-6-N-(4-fluorophenyl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine (PubChem CID 22539360) has the molecular formula C19H20FN5 and a molecular weight of 337.40 g/mol. Its IUPAC name is 4-N-ethyl-6-N-(4-fluorophenyl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-ethyl-6-N-(4-fluorophenyl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
PubChem CID22539360
Molecular FormulaC19H20FN5
Molecular Weight337.40 g/mol
Exact Mass337.17
IUPAC Name4-N-ethyl-6-N-(4-fluorophenyl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
SMILESCCN(c1cccc(C)c1)c1ncnc(Nc2ccc(F)cc2)c1N
InChIInChI=1S/C19H20FN5/c1-3-25(16-6-4-5-13(2)11-16)19-17(21)18(22-12-23-19)24-15-9-7-14(20)8-10-15/h4-12H,3,21H2,1-2H3,(H,22,23,24)
InChIKeyFLKGGEOUAWPZIY-UHFFFAOYSA-N
XLogP4.41
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-ethyl-6-N-(4-ethylphenyl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22539248
6-N-(3-bromophenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22539410
6-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22539411
dimethyl 5-[[5-amino-6-(N-ethyl-3-methylanilino)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate
CID 22539264
6-(2,2-diphenylhydrazinyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
CID 22539339
6-N-butyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22539266
6-N-benzyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22539273
6-N-(5-chloro-2-methoxyphenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22539256
4-N,6-N,6-N-triethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22539276
6-N-(4-fluorophenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine
CID 19144474
N-ethyl-6-hydrazinyl-5-methyl-N-(3-methylphenyl)pyrimidin-4-amine
CID 80899461
N'-[5-amino-6-(N-ethyl-3-methylanilino)pyrimidin-4-yl]benzohydrazide
CID 22539377

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-6-N-(4-fluorophenyl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-ethyl-6-N-(4-fluorophenyl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine (CID 22539360) is 4-N-ethyl-6-N-(4-fluorophenyl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-ethyl-6-N-(4-fluorophenyl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-ethyl-6-N-(4-fluorophenyl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine is CCN(c1cccc(C)c1)c1ncnc(Nc2ccc(F)cc2)c1N.
What is the InChIKey of 4-N-ethyl-6-N-(4-fluorophenyl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine?
The InChIKey is FLKGGEOUAWPZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5/c1-3-25(16-6-4-5-13(2)11-16)19-17(21)18(22-12-23-19)24-15-9-7-14(20)8-10-15/h4-12H,3,21H2,1-2H3,(H,22,23,24).
What are the key properties of 4-N-ethyl-6-N-(4-fluorophenyl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine?
4-N-ethyl-6-N-(4-fluorophenyl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine has a molecular weight of 337.40 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-6-N-(4-fluorophenyl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 22539360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).