6-N-benzyl-4-N-(2,5-dimethylphenyl)pyrimidine-4,6-diamine

C19H20N4 — CID 112858790

IUPAC6-N-benzyl-4-N-(2,5-dimethylphenyl)pyrimidine-4,6-diamine
SMILESCc1ccc(C)c(Nc2cc(NCc3ccccc3)ncn2)c1
InChIInChI=1S/C19H20N4/c1-14-8-9-15(2)17(10-14)23-19-11-18(21-13-22-19)20-12-16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3,(H2,20,21,22,23)
InChIKeyXCQUUQFIYFILLO-UHFFFAOYSA-N
MW304.40 g/mol
LogP4.45
Rot. Bonds5

About 6-N-benzyl-4-N-(2,5-dimethylphenyl)pyrimidine-4,6-diamine

6-N-benzyl-4-N-(2,5-dimethylphenyl)pyrimidine-4,6-diamine (PubChem CID 112858790) has the molecular formula C19H20N4 and a molecular weight of 304.40 g/mol. Its IUPAC name is 6-N-benzyl-4-N-(2,5-dimethylphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-benzyl-4-N-(2,5-dimethylphenyl)pyrimidine-4,6-diamine
PubChem CID112858790
Molecular FormulaC19H20N4
Molecular Weight304.40 g/mol
Exact Mass304.17
IUPAC Name6-N-benzyl-4-N-(2,5-dimethylphenyl)pyrimidine-4,6-diamine
SMILESCc1ccc(C)c(Nc2cc(NCc3ccccc3)ncn2)c1
InChIInChI=1S/C19H20N4/c1-14-8-9-15(2)17(10-14)23-19-11-18(21-13-22-19)20-12-16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3,(H2,20,21,22,23)
InChIKeyXCQUUQFIYFILLO-UHFFFAOYSA-N
XLogP4.45
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2,5-dimethylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine
CID 112861082
6-N-benzyl-4-N-(2,6-dimethylphenyl)pyrimidine-4,6-diamine
CID 112858793
4-N-(2,4-dimethylphenyl)-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine
CID 112859762
6-N-[2-(dimethylamino)ethyl]-4-N-(2,5-dimethylphenyl)pyrimidine-4,6-diamine
CID 112857450
4-N-(2,5-dimethylphenyl)-6-N-pentylpyrimidine-4,6-diamine
CID 112864104
6-N-[(3-methylphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine
CID 112859074
4-N-(2,5-dimethylphenyl)-6-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 112861313
6-N-benzyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112858799
6-N-benzyl-4-N-(2-methoxyphenyl)pyrimidine-4,6-diamine
CID 112858817
4-N-(5-chloro-2-methylphenyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112860950
6-N-benzyl-4-N-(4-chloro-2-methoxy-5-methylphenyl)pyrimidine-4,6-diamine
CID 112858867
4-N-(2-bromo-4-methylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine
CID 112861137

Frequently Asked Questions

What is the IUPAC name of 6-N-benzyl-4-N-(2,5-dimethylphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-benzyl-4-N-(2,5-dimethylphenyl)pyrimidine-4,6-diamine (CID 112858790) is 6-N-benzyl-4-N-(2,5-dimethylphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-benzyl-4-N-(2,5-dimethylphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-benzyl-4-N-(2,5-dimethylphenyl)pyrimidine-4,6-diamine is Cc1ccc(C)c(Nc2cc(NCc3ccccc3)ncn2)c1.
What is the InChIKey of 6-N-benzyl-4-N-(2,5-dimethylphenyl)pyrimidine-4,6-diamine?
The InChIKey is XCQUUQFIYFILLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4/c1-14-8-9-15(2)17(10-14)23-19-11-18(21-13-22-19)20-12-16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3,(H2,20,21,22,23).
What are the key properties of 6-N-benzyl-4-N-(2,5-dimethylphenyl)pyrimidine-4,6-diamine?
6-N-benzyl-4-N-(2,5-dimethylphenyl)pyrimidine-4,6-diamine has a molecular weight of 304.40 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-benzyl-4-N-(2,5-dimethylphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112858790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).