4-N-(4-ethylphenyl)-6-N-(4-methylphenyl)pyrimidine-4,5,6-triamine

C19H21N5 — CID 22544339

IUPAC4-N-(4-ethylphenyl)-6-N-(4-methylphenyl)pyrimidine-4,5,6-triamine
SMILESCCc1ccc(Nc2ncnc(Nc3ccc(C)cc3)c2N)cc1
InChIInChI=1S/C19H21N5/c1-3-14-6-10-16(11-7-14)24-19-17(20)18(21-12-22-19)23-15-8-4-13(2)5-9-15/h4-12H,3,20H2,1-2H3,(H2,21,22,23,24)
InChIKeyPZARDQXMKHQVMD-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.42
Rot. Bonds5

About 4-N-(4-ethylphenyl)-6-N-(4-methylphenyl)pyrimidine-4,5,6-triamine

4-N-(4-ethylphenyl)-6-N-(4-methylphenyl)pyrimidine-4,5,6-triamine (PubChem CID 22544339) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is 4-N-(4-ethylphenyl)-6-N-(4-methylphenyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-(4-ethylphenyl)-6-N-(4-methylphenyl)pyrimidine-4,5,6-triamine
PubChem CID22544339
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Name4-N-(4-ethylphenyl)-6-N-(4-methylphenyl)pyrimidine-4,5,6-triamine
SMILESCCc1ccc(Nc2ncnc(Nc3ccc(C)cc3)c2N)cc1
InChIInChI=1S/C19H21N5/c1-3-14-6-10-16(11-7-14)24-19-17(20)18(21-12-22-19)23-15-8-4-13(2)5-9-15/h4-12H,3,20H2,1-2H3,(H2,21,22,23,24)
InChIKeyPZARDQXMKHQVMD-UHFFFAOYSA-N
XLogP4.42
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(3,4-dimethylphenyl)-6-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544240
4-N-(4-butoxyphenyl)-6-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544296
6-(2-tert-butylhydrazinyl)-4-N-(4-ethylphenyl)pyrimidine-4,5-diamine
CID 22544389
4-N-(4-ethylphenyl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine
CID 22544255
4-N-(3-bromophenyl)-6-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544393
6-N-[(4-chlorophenyl)methyl]-4-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544359
5-ethyl-N-(4-ethylphenyl)-6-methylpyrimidin-4-amine
CID 13121249
4-N-(4-ethylphenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine
CID 22544263
5-ethyl-6-hydrazinyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 80927591
4-N-ethyl-6-N-(4-ethylphenyl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22539248
6-N-(4-ethylphenyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22544237
4-N-(2,5-dimethylphenyl)-6-N-(4-methylphenyl)pyrimidine-4,5,6-triamine
CID 22547055

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-ethylphenyl)-6-N-(4-methylphenyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-(4-ethylphenyl)-6-N-(4-methylphenyl)pyrimidine-4,5,6-triamine (CID 22544339) is 4-N-(4-ethylphenyl)-6-N-(4-methylphenyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-(4-ethylphenyl)-6-N-(4-methylphenyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-(4-ethylphenyl)-6-N-(4-methylphenyl)pyrimidine-4,5,6-triamine is CCc1ccc(Nc2ncnc(Nc3ccc(C)cc3)c2N)cc1.
What is the InChIKey of 4-N-(4-ethylphenyl)-6-N-(4-methylphenyl)pyrimidine-4,5,6-triamine?
The InChIKey is PZARDQXMKHQVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c1-3-14-6-10-16(11-7-14)24-19-17(20)18(21-12-22-19)23-15-8-4-13(2)5-9-15/h4-12H,3,20H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 4-N-(4-ethylphenyl)-6-N-(4-methylphenyl)pyrimidine-4,5,6-triamine?
4-N-(4-ethylphenyl)-6-N-(4-methylphenyl)pyrimidine-4,5,6-triamine has a molecular weight of 319.41 g/mol, XLogP of 4.42, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-ethylphenyl)-6-N-(4-methylphenyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 22544339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).