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

C19H20BrN5 — CID 22539410

IUPAC6-N-(3-bromophenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
SMILESCCN(c1cccc(C)c1)c1ncnc(Nc2cccc(Br)c2)c1N
InChIInChI=1S/C19H20BrN5/c1-3-25(16-9-4-6-13(2)10-16)19-17(21)18(22-12-23-19)24-15-8-5-7-14(20)11-15/h4-12H,3,21H2,1-2H3,(H,22,23,24)
InChIKeyWMPOEZPVDAQMSA-UHFFFAOYSA-N
MW398.31 g/mol
LogP5.03
Rot. Bonds5

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

6-N-(3-bromophenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine (PubChem CID 22539410) has the molecular formula C19H20BrN5 and a molecular weight of 398.31 g/mol. Its IUPAC name is 6-N-(3-bromophenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(3-bromophenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
PubChem CID22539410
Molecular FormulaC19H20BrN5
Molecular Weight398.31 g/mol
Exact Mass397.09
IUPAC Name6-N-(3-bromophenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
SMILESCCN(c1cccc(C)c1)c1ncnc(Nc2cccc(Br)c2)c1N
InChIInChI=1S/C19H20BrN5/c1-3-25(16-9-4-6-13(2)10-16)19-17(21)18(22-12-23-19)24-15-8-5-7-14(20)11-15/h4-12H,3,21H2,1-2H3,(H,22,23,24)
InChIKeyWMPOEZPVDAQMSA-UHFFFAOYSA-N
XLogP5.03
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.31
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-N-(3-bromophenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine with MolForge

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Related Compounds

4-N-ethyl-6-N-(4-fluorophenyl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22539360
4-N-ethyl-6-N-(4-ethylphenyl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22539248
dimethyl 5-[[5-amino-6-(N-ethyl-3-methylanilino)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate
CID 22539264
6-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22539411
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
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
4-N-(3-bromophenyl)-6-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544393

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-bromophenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(3-bromophenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine (CID 22539410) is 6-N-(3-bromophenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(3-bromophenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(3-bromophenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine is CCN(c1cccc(C)c1)c1ncnc(Nc2cccc(Br)c2)c1N.
What is the InChIKey of 6-N-(3-bromophenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine?
The InChIKey is WMPOEZPVDAQMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN5/c1-3-25(16-9-4-6-13(2)10-16)19-17(21)18(22-12-23-19)24-15-8-5-7-14(20)11-15/h4-12H,3,21H2,1-2H3,(H,22,23,24).
What are the key properties of 6-N-(3-bromophenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine?
6-N-(3-bromophenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine has a molecular weight of 398.31 g/mol, XLogP of 5.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-bromophenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 22539410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).