4-N-(4-bromo-2-ethylphenyl)-2-ethylpyrimidine-4,6-diamine

C14H17BrN4 — CID 81289211

IUPAC4-N-(4-bromo-2-ethylphenyl)-2-ethylpyrimidine-4,6-diamine
SMILESCCc1nc(N)cc(Nc2ccc(Br)cc2CC)n1
InChIInChI=1S/C14H17BrN4/c1-3-9-7-10(15)5-6-11(9)17-14-8-12(16)18-13(4-2)19-14/h5-8H,3-4H2,1-2H3,(H3,16,17,18,19)
InChIKeyMXPZFRHNHMXUGG-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.69
Rot. Bonds4

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

4-N-(4-bromo-2-ethylphenyl)-2-ethylpyrimidine-4,6-diamine (PubChem CID 81289211) has the molecular formula C14H17BrN4 and a molecular weight of 321.22 g/mol. Its IUPAC name is 4-N-(4-bromo-2-ethylphenyl)-2-ethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-bromo-2-ethylphenyl)-2-ethylpyrimidine-4,6-diamine
PubChem CID81289211
Molecular FormulaC14H17BrN4
Molecular Weight321.22 g/mol
Exact Mass320.06
IUPAC Name4-N-(4-bromo-2-ethylphenyl)-2-ethylpyrimidine-4,6-diamine
SMILESCCc1nc(N)cc(Nc2ccc(Br)cc2CC)n1
InChIInChI=1S/C14H17BrN4/c1-3-9-7-10(15)5-6-11(9)17-14-8-12(16)18-13(4-2)19-14/h5-8H,3-4H2,1-2H3,(H3,16,17,18,19)
InChIKeyMXPZFRHNHMXUGG-UHFFFAOYSA-N
XLogP3.69
TPSA63.83 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 ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2-bromo-4-methylphenyl)-2-ethylpyrimidine-4,6-diamine
CID 80934075
4-N-(3-bromoquinolin-8-yl)-2-ethylpyrimidine-4,6-diamine
CID 116785861
N-(4-bromo-2-ethylphenyl)-6-fluoropyridin-2-amine
CID 81287353
4-N-(5-chloro-2-fluorophenyl)-2-ethylpyrimidine-4,6-diamine
CID 80934192
2-N-(4-bromo-2-ethylphenyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 81287060
2-ethyl-4-N-[2-(2-methoxyethyl)phenyl]pyrimidine-4,6-diamine
CID 102908806
2-N-(4-bromo-2-ethylphenyl)-3-nitropyridine-2,6-diamine
CID 81289863
5-bromo-N-(4-bromo-2-ethylphenyl)pyrimidin-2-amine
CID 81288979
N-(4-bromo-2-ethylphenyl)-2,3,5,6-tetrafluoropyridin-4-amine
CID 81289293
4-N-(4-bromo-2,3-dichlorophenyl)-2-propylpyrimidine-4,6-diamine
CID 107794868
2-ethyl-4-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 80940771
4-N-(3,5-difluorophenyl)-2-ethylpyrimidine-4,6-diamine
CID 80933085

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-bromo-2-ethylphenyl)-2-ethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-bromo-2-ethylphenyl)-2-ethylpyrimidine-4,6-diamine (CID 81289211) is 4-N-(4-bromo-2-ethylphenyl)-2-ethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-bromo-2-ethylphenyl)-2-ethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-bromo-2-ethylphenyl)-2-ethylpyrimidine-4,6-diamine is CCc1nc(N)cc(Nc2ccc(Br)cc2CC)n1.
What is the InChIKey of 4-N-(4-bromo-2-ethylphenyl)-2-ethylpyrimidine-4,6-diamine?
The InChIKey is MXPZFRHNHMXUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4/c1-3-9-7-10(15)5-6-11(9)17-14-8-12(16)18-13(4-2)19-14/h5-8H,3-4H2,1-2H3,(H3,16,17,18,19).
What are the key properties of 4-N-(4-bromo-2-ethylphenyl)-2-ethylpyrimidine-4,6-diamine?
4-N-(4-bromo-2-ethylphenyl)-2-ethylpyrimidine-4,6-diamine has a molecular weight of 321.22 g/mol, XLogP of 3.69, 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)-2-ethylpyrimidine-4,6-diamine is sourced from PubChem (CID 81289211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).