5-bromo-2-(2,4-dimethylphenyl)-N,6-dimethylpyrimidin-4-amine

C14H16BrN3 — CID 66302387

IUPAC5-bromo-2-(2,4-dimethylphenyl)-N,6-dimethylpyrimidin-4-amine
SMILESCNc1nc(-c2ccc(C)cc2C)nc(C)c1Br
InChIInChI=1S/C14H16BrN3/c1-8-5-6-11(9(2)7-8)13-17-10(3)12(15)14(16-4)18-13/h5-7H,1-4H3,(H,16,17,18)
InChIKeyYSPUIBQDJXZGOR-UHFFFAOYSA-N
MW306.21 g/mol
LogP3.87
Rot. Bonds2

About 5-bromo-2-(2,4-dimethylphenyl)-N,6-dimethylpyrimidin-4-amine

5-bromo-2-(2,4-dimethylphenyl)-N,6-dimethylpyrimidin-4-amine (PubChem CID 66302387) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is 5-bromo-2-(2,4-dimethylphenyl)-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(2,4-dimethylphenyl)-N,6-dimethylpyrimidin-4-amine
PubChem CID66302387
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name5-bromo-2-(2,4-dimethylphenyl)-N,6-dimethylpyrimidin-4-amine
SMILESCNc1nc(-c2ccc(C)cc2C)nc(C)c1Br
InChIInChI=1S/C14H16BrN3/c1-8-5-6-11(9(2)7-8)13-17-10(3)12(15)14(16-4)18-13/h5-7H,1-4H3,(H,16,17,18)
InChIKeyYSPUIBQDJXZGOR-UHFFFAOYSA-N
XLogP3.87
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(5-fluoro-2-methylphenyl)-N,6-dimethylpyrimidin-4-amine
CID 66304873
2-(2,4-dimethylphenyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine
CID 63561539
2-(2,5-dimethylphenyl)-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 66295351
5-bromo-2-(3-bromo-4-methylphenyl)-N,6-dimethylpyrimidin-4-amine
CID 105410427
5-bromo-2-(4-bromo-2-methylphenyl)-N-ethyl-6-methylpyrimidin-4-amine
CID 103083781
5-bromo-6-tert-butyl-2-(4-fluoro-2-methylphenyl)-N-methylpyrimidin-4-amine
CID 81274493
2-(2,4-dimethylphenyl)-7-fluoro-N-methylquinazolin-4-amine
CID 64981496
5-bromo-N,6-dimethyl-2-(4-methylsulfanylphenyl)pyrimidin-4-amine
CID 66304226
5-bromo-2-(3-tert-butyl-1-methylpyrazol-4-yl)-N,6-dimethylpyrimidin-4-amine
CID 83094484
2-(4-bromo-2-methylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 103083752
5-bromo-N-ethyl-6-methyl-2-(2-methylphenyl)pyrimidin-4-amine
CID 66306280
2-(2,4-dimethylphenyl)-N,6-diethyl-5-iodopyrimidin-4-amine
CID 66297158

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2,4-dimethylphenyl)-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(2,4-dimethylphenyl)-N,6-dimethylpyrimidin-4-amine (CID 66302387) is 5-bromo-2-(2,4-dimethylphenyl)-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(2,4-dimethylphenyl)-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(2,4-dimethylphenyl)-N,6-dimethylpyrimidin-4-amine is CNc1nc(-c2ccc(C)cc2C)nc(C)c1Br.
What is the InChIKey of 5-bromo-2-(2,4-dimethylphenyl)-N,6-dimethylpyrimidin-4-amine?
The InChIKey is YSPUIBQDJXZGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c1-8-5-6-11(9(2)7-8)13-17-10(3)12(15)14(16-4)18-13/h5-7H,1-4H3,(H,16,17,18).
What are the key properties of 5-bromo-2-(2,4-dimethylphenyl)-N,6-dimethylpyrimidin-4-amine?
5-bromo-2-(2,4-dimethylphenyl)-N,6-dimethylpyrimidin-4-amine has a molecular weight of 306.21 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2,4-dimethylphenyl)-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 66302387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).