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

C19H21N5 — CID 22546235

IUPAC4-N-(3,4-dimethylphenyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
SMILESCc1cccc(Nc2ncnc(Nc3ccc(C)c(C)c3)c2N)c1
InChIInChI=1S/C19H21N5/c1-12-5-4-6-15(9-12)23-18-17(20)19(22-11-21-18)24-16-8-7-13(2)14(3)10-16/h4-11H,20H2,1-3H3,(H2,21,22,23,24)
InChIKeyUNQWZLRSQZXRSQ-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.47
Rot. Bonds4

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

4-N-(3,4-dimethylphenyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine (PubChem CID 22546235) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is 4-N-(3,4-dimethylphenyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-(3,4-dimethylphenyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
PubChem CID22546235
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Name4-N-(3,4-dimethylphenyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
SMILESCc1cccc(Nc2ncnc(Nc3ccc(C)c(C)c3)c2N)c1
InChIInChI=1S/C19H21N5/c1-12-5-4-6-15(9-12)23-18-17(20)19(22-11-21-18)24-16-8-7-13(2)14(3)10-16/h4-11H,20H2,1-3H3,(H2,21,22,23,24)
InChIKeyUNQWZLRSQZXRSQ-UHFFFAOYSA-N
XLogP4.47
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-(4-chlorophenyl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 19148236
6-N-(4-bromophenyl)-4-N-(3,4-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22546240
4-N-(3-chlorophenyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 19148233
acetylene;6-chloro-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
CID 142993577
1-[4-[[5-amino-6-(3-methylanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 19148242
4-N-(3,4-dimethylphenyl)-6-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544240
6-ethoxy-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
CID 19148280
4-N-(3,4-dimethylphenyl)-6-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine
CID 22546325
4-N-(3,4-dimethylphenyl)-6-(2,2-diphenylhydrazinyl)pyrimidine-4,5-diamine
CID 22546221
4-N-(3,4-dimethylphenyl)-6-ethoxypyrimidine-4,5-diamine
CID 22546283
4-N-(3-methylphenyl)-6-pyrrolidin-1-ylpyrimidine-4,5-diamine
CID 19137318
4-N-(5-chloro-2-pyridinyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 19147077

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,4-dimethylphenyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-(3,4-dimethylphenyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine (CID 22546235) is 4-N-(3,4-dimethylphenyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-(3,4-dimethylphenyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-(3,4-dimethylphenyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine is Cc1cccc(Nc2ncnc(Nc3ccc(C)c(C)c3)c2N)c1.
What is the InChIKey of 4-N-(3,4-dimethylphenyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine?
The InChIKey is UNQWZLRSQZXRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c1-12-5-4-6-15(9-12)23-18-17(20)19(22-11-21-18)24-16-8-7-13(2)14(3)10-16/h4-11H,20H2,1-3H3,(H2,21,22,23,24).
What are the key properties of 4-N-(3,4-dimethylphenyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine?
4-N-(3,4-dimethylphenyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine has a molecular weight of 319.41 g/mol, XLogP of 4.47, 4 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-(3-methylphenyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 22546235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).