5-bromo-2-N-ethyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine

C13H15BrN4 — CID 80754775

IUPAC5-bromo-2-N-ethyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(Br)c(Nc2ccccc2C)n1
InChIInChI=1S/C13H15BrN4/c1-3-15-13-16-8-10(14)12(18-13)17-11-7-5-4-6-9(11)2/h4-8H,3H2,1-2H3,(H2,15,16,17,18)
InChIKeyIMTSTZIGSKPVHA-UHFFFAOYSA-N
MW307.20 g/mol
LogP3.72
Rot. Bonds4

About 5-bromo-2-N-ethyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine

5-bromo-2-N-ethyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine (PubChem CID 80754775) has the molecular formula C13H15BrN4 and a molecular weight of 307.20 g/mol. Its IUPAC name is 5-bromo-2-N-ethyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-2-N-ethyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine
PubChem CID80754775
Molecular FormulaC13H15BrN4
Molecular Weight307.20 g/mol
Exact Mass306.05
IUPAC Name5-bromo-2-N-ethyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(Br)c(Nc2ccccc2C)n1
InChIInChI=1S/C13H15BrN4/c1-3-15-13-16-8-10(14)12(18-13)17-11-7-5-4-6-9(11)2/h4-8H,3H2,1-2H3,(H2,15,16,17,18)
InChIKeyIMTSTZIGSKPVHA-UHFFFAOYSA-N
XLogP3.72
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.20
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-N-(2-chlorophenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80760864
5-bromo-4-N-(2-tert-butylphenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80822328
5-bromo-4-N-(5-bromo-2-methylphenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80788736
5-bromo-2-N-ethyl-4-N-(5-fluoro-2-methylphenyl)pyrimidine-2,4-diamine
CID 80762209
5-bromo-2-chloro-N-(2-methylphenyl)pyrimidin-4-amine
CID 24903530
5-bromo-2-N-ethyl-4-N-(2,4,5-trichlorophenyl)pyrimidine-2,4-diamine
CID 80759727
2-N-ethyl-5-methyl-4-N-naphthalen-1-ylpyrimidine-2,4-diamine
CID 66792053
4-N-(2-chlorophenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80760295
5-bromo-4-N-(5-bromo-2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80789415
5-bromo-4-N-(5-bromo-2,4-difluorophenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 102855605
4-N-(2-tert-butylphenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80822747
4-N-(2,3-dimethylphenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80762179

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N-ethyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-2-N-ethyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine (CID 80754775) is 5-bromo-2-N-ethyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-2-N-ethyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-2-N-ethyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine is CCNc1ncc(Br)c(Nc2ccccc2C)n1.
What is the InChIKey of 5-bromo-2-N-ethyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine?
The InChIKey is IMTSTZIGSKPVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4/c1-3-15-13-16-8-10(14)12(18-13)17-11-7-5-4-6-9(11)2/h4-8H,3H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 5-bromo-2-N-ethyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine?
5-bromo-2-N-ethyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine has a molecular weight of 307.20 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-N-ethyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80754775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).