4-N-(2-bromo-5-methoxyphenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine

C14H17BrN4O — CID 80847879

IUPAC4-N-(2-bromo-5-methoxyphenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
SMILESCCNc1ncc(C)c(Nc2cc(OC)ccc2Br)n1
InChIInChI=1S/C14H17BrN4O/c1-4-16-14-17-8-9(2)13(19-14)18-12-7-10(20-3)5-6-11(12)15/h5-8H,4H2,1-3H3,(H2,16,17,18,19)
InChIKeyGAWODJPUWVYKGL-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.73
Rot. Bonds5

About 4-N-(2-bromo-5-methoxyphenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine

4-N-(2-bromo-5-methoxyphenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine (PubChem CID 80847879) has the molecular formula C14H17BrN4O and a molecular weight of 337.22 g/mol. Its IUPAC name is 4-N-(2-bromo-5-methoxyphenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-bromo-5-methoxyphenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
PubChem CID80847879
Molecular FormulaC14H17BrN4O
Molecular Weight337.22 g/mol
Exact Mass336.06
IUPAC Name4-N-(2-bromo-5-methoxyphenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
SMILESCCNc1ncc(C)c(Nc2cc(OC)ccc2Br)n1
InChIInChI=1S/C14H17BrN4O/c1-4-16-14-17-8-9(2)13(19-14)18-12-7-10(20-3)5-6-11(12)15/h5-8H,4H2,1-3H3,(H2,16,17,18,19)
InChIKeyGAWODJPUWVYKGL-UHFFFAOYSA-N
XLogP3.73
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2-fluoro-5-methoxyphenyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80838232
4-N-(4-bromo-2,3-dichlorophenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 107794802
4-N-(4-bromo-3-fluorophenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80843555
4-N-(2,5-dimethoxyphenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80767862
4-N-(2,5-dimethylphenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80763434
4-N-(2,4-dimethylphenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80760884
4-N-(4-methoxy-2-methylphenyl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80824828
5-bromo-2-hydrazinyl-N-(5-methoxy-2-methylphenyl)pyrimidin-4-amine
CID 114252987
4-N-(2,4-dimethoxyphenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80736524
4-N-(2-bromo-5-chlorophenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 81271743
2-N-ethyl-5-methyl-4-N-(2,4,5-trichlorophenyl)pyrimidine-2,4-diamine
CID 80759795
5-bromo-4-N-(5-bromo-2-methylphenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80788736

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-bromo-5-methoxyphenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-bromo-5-methoxyphenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine (CID 80847879) is 4-N-(2-bromo-5-methoxyphenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-bromo-5-methoxyphenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-bromo-5-methoxyphenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine is CCNc1ncc(C)c(Nc2cc(OC)ccc2Br)n1.
What is the InChIKey of 4-N-(2-bromo-5-methoxyphenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine?
The InChIKey is GAWODJPUWVYKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O/c1-4-16-14-17-8-9(2)13(19-14)18-12-7-10(20-3)5-6-11(12)15/h5-8H,4H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 4-N-(2-bromo-5-methoxyphenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine?
4-N-(2-bromo-5-methoxyphenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine has a molecular weight of 337.22 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-bromo-5-methoxyphenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80847879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).