4-N-(3,4-dimethylphenyl)-6-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine

C20H23N5 — CID 22544240

IUPAC4-N-(3,4-dimethylphenyl)-6-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine
SMILESCCc1ccc(Nc2ncnc(Nc3ccc(C)c(C)c3)c2N)cc1
InChIInChI=1S/C20H23N5/c1-4-15-6-9-16(10-7-15)24-19-18(21)20(23-12-22-19)25-17-8-5-13(2)14(3)11-17/h5-12H,4,21H2,1-3H3,(H2,22,23,24,25)
InChIKeyAEIGKCQHVKZLLN-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.73
Rot. Bonds5

About 4-N-(3,4-dimethylphenyl)-6-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine

4-N-(3,4-dimethylphenyl)-6-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine (PubChem CID 22544240) has the molecular formula C20H23N5 and a molecular weight of 333.44 g/mol. Its IUPAC name is 4-N-(3,4-dimethylphenyl)-6-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-(3,4-dimethylphenyl)-6-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine
PubChem CID22544240
Molecular FormulaC20H23N5
Molecular Weight333.44 g/mol
Exact Mass333.20
IUPAC Name4-N-(3,4-dimethylphenyl)-6-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine
SMILESCCc1ccc(Nc2ncnc(Nc3ccc(C)c(C)c3)c2N)cc1
InChIInChI=1S/C20H23N5/c1-4-15-6-9-16(10-7-15)24-19-18(21)20(23-12-22-19)25-17-8-5-13(2)14(3)11-17/h5-12H,4,21H2,1-3H3,(H2,22,23,24,25)
InChIKeyAEIGKCQHVKZLLN-UHFFFAOYSA-N
XLogP4.73
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(4-ethylphenyl)-6-N-(4-methylphenyl)pyrimidine-4,5,6-triamine
CID 22544339
6-N-(4-bromophenyl)-4-N-(3,4-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22546240
4-N-(3,4-dimethylphenyl)-6-ethoxypyrimidine-4,5-diamine
CID 22546283
4-N-(3-bromophenyl)-6-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544393
4-N-(3,4-dimethylphenyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22546235
4-N-(3,4-dimethylphenyl)-6-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine
CID 22546325
6-(2-tert-butylhydrazinyl)-4-N-(4-ethylphenyl)pyrimidine-4,5-diamine
CID 22544389
4-N-(4-butoxyphenyl)-6-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544296
4-N-(4-ethylphenyl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine
CID 22544255
4-N-(4-ethylphenyl)-2-methylbenzene-1,4-diamine
CID 43436308
6-chloro-N-(3,4-dimethylphenyl)-5-ethylpyrimidin-4-amine
CID 63735587
4-N-(3,4-dimethylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 22546284

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,4-dimethylphenyl)-6-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-(3,4-dimethylphenyl)-6-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine (CID 22544240) is 4-N-(3,4-dimethylphenyl)-6-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-(3,4-dimethylphenyl)-6-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-(3,4-dimethylphenyl)-6-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine is CCc1ccc(Nc2ncnc(Nc3ccc(C)c(C)c3)c2N)cc1.
What is the InChIKey of 4-N-(3,4-dimethylphenyl)-6-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine?
The InChIKey is AEIGKCQHVKZLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5/c1-4-15-6-9-16(10-7-15)24-19-18(21)20(23-12-22-19)25-17-8-5-13(2)14(3)11-17/h5-12H,4,21H2,1-3H3,(H2,22,23,24,25).
What are the key properties of 4-N-(3,4-dimethylphenyl)-6-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine?
4-N-(3,4-dimethylphenyl)-6-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine has a molecular weight of 333.44 g/mol, XLogP of 4.73, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,4-dimethylphenyl)-6-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 22544240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).