4-N-(4-bromo-2-ethylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine

C14H17BrN4 — CID 81288855

IUPAC4-N-(4-bromo-2-ethylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
SMILESCCc1cc(Br)ccc1Nc1ncnc(NC)c1C
InChIInChI=1S/C14H17BrN4/c1-4-10-7-11(15)5-6-12(10)19-14-9(2)13(16-3)17-8-18-14/h5-8H,4H2,1-3H3,(H2,16,17,18,19)
InChIKeyZPPQWLFTMKCTSE-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.90
Rot. Bonds4

About 4-N-(4-bromo-2-ethylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine

4-N-(4-bromo-2-ethylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine (PubChem CID 81288855) has the molecular formula C14H17BrN4 and a molecular weight of 321.22 g/mol. Its IUPAC name is 4-N-(4-bromo-2-ethylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-bromo-2-ethylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
PubChem CID81288855
Molecular FormulaC14H17BrN4
Molecular Weight321.22 g/mol
Exact Mass320.06
IUPAC Name4-N-(4-bromo-2-ethylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
SMILESCCc1cc(Br)ccc1Nc1ncnc(NC)c1C
InChIInChI=1S/C14H17BrN4/c1-4-10-7-11(15)5-6-12(10)19-14-9(2)13(16-3)17-8-18-14/h5-8H,4H2,1-3H3,(H2,16,17,18,19)
InChIKeyZPPQWLFTMKCTSE-UHFFFAOYSA-N
XLogP3.90
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(4-bromo-2-ethylphenyl)-6-ethoxypyrimidine-4,5-diamine
CID 81292242
4-N-(4-bromo-2-ethylphenyl)-6-propoxypyrimidine-4,5-diamine
CID 81289753
4-N-(4-bromo-2-methylphenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80759265
4-(4-bromo-2-ethylanilino)pyrimidine-5-carboxylic acid
CID 114214554
5-bromo-N-(4-bromo-2-ethylphenyl)pyrimidin-2-amine
CID 81288979
5-N-(4-bromo-2-ethylphenyl)-3-N-methylpyridine-3,5-diamine
CID 104535480
N-(4-bromo-2-ethylphenyl)-5-chloro-3-fluoropyridin-2-amine
CID 81288206
4-N-(5-bromo-2-methoxyphenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80804931
N-(4-bromo-2-chlorophenyl)-6-chloro-5-methylpyrimidin-4-amine
CID 55230638
4-N-(5-bromo-2-chlorophenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80825088
4-N-(4-bromo-2-fluorophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80759951
[5-bromo-2-[(6,7-dimethylquinazolin-4-yl)amino]phenyl]methanol
CID 18685581

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-bromo-2-ethylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-bromo-2-ethylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine (CID 81288855) is 4-N-(4-bromo-2-ethylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-bromo-2-ethylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-bromo-2-ethylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine is CCc1cc(Br)ccc1Nc1ncnc(NC)c1C.
What is the InChIKey of 4-N-(4-bromo-2-ethylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine?
The InChIKey is ZPPQWLFTMKCTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4/c1-4-10-7-11(15)5-6-12(10)19-14-9(2)13(16-3)17-8-18-14/h5-8H,4H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 4-N-(4-bromo-2-ethylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine?
4-N-(4-bromo-2-ethylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine has a molecular weight of 321.22 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-bromo-2-ethylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 81288855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).