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

C15H19BrN4O — CID 81289753

IUPAC4-N-(4-bromo-2-ethylphenyl)-6-propoxypyrimidine-4,5-diamine
SMILESCCCOc1ncnc(Nc2ccc(Br)cc2CC)c1N
InChIInChI=1S/C15H19BrN4O/c1-3-7-21-15-13(17)14(18-9-19-15)20-12-6-5-11(16)8-10(12)4-2/h5-6,8-9H,3-4,7,17H2,1-2H3,(H,18,19,20)
InChIKeyBSZRINPXNCJVGM-UHFFFAOYSA-N
MW351.25 g/mol
LogP3.92
Rot. Bonds6

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

4-N-(4-bromo-2-ethylphenyl)-6-propoxypyrimidine-4,5-diamine (PubChem CID 81289753) has the molecular formula C15H19BrN4O and a molecular weight of 351.25 g/mol. Its IUPAC name is 4-N-(4-bromo-2-ethylphenyl)-6-propoxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(4-bromo-2-ethylphenyl)-6-propoxypyrimidine-4,5-diamine
PubChem CID81289753
Molecular FormulaC15H19BrN4O
Molecular Weight351.25 g/mol
Exact Mass350.07
IUPAC Name4-N-(4-bromo-2-ethylphenyl)-6-propoxypyrimidine-4,5-diamine
SMILESCCCOc1ncnc(Nc2ccc(Br)cc2CC)c1N
InChIInChI=1S/C15H19BrN4O/c1-3-7-21-15-13(17)14(18-9-19-15)20-12-6-5-11(16)8-10(12)4-2/h5-6,8-9H,3-4,7,17H2,1-2H3,(H,18,19,20)
InChIKeyBSZRINPXNCJVGM-UHFFFAOYSA-N
XLogP3.92
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.25
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-N,5-dimethylpyrimidine-4,6-diamine
CID 81288855
4-N-(4-bromo-3-chlorophenyl)-6-propoxypyrimidine-4,5-diamine
CID 107618600
4-N-[3-(dimethylamino)phenyl]-6-propoxypyrimidine-4,5-diamine
CID 115376024
4-N-(2,6-dichloro-4-fluorophenyl)-6-propoxypyrimidine-4,5-diamine
CID 83078014
4-N-[(3-ethyl-2-pyridinyl)methyl]-6-propoxypyrimidine-4,5-diamine
CID 82733718
4-(4-bromo-2-ethylanilino)pyrimidine-5-carboxylic acid
CID 114214554
5-bromo-N-(4-bromo-2-ethylphenyl)pyrimidin-2-amine
CID 81288979
6-(3,4-dimethylphenoxy)-4-N-(2-ethylphenyl)pyrimidine-4,5-diamine
CID 22544216
2-N-(2,4-dibromophenyl)-6-propoxypyridine-2,5-diamine
CID 63402975
6-methoxy-4-N-[2-(2-methoxyethyl)phenyl]pyrimidine-4,5-diamine
CID 102903424
6-(4-chloro-3,5-dimethylphenoxy)-4-N-(2-ethylphenyl)pyrimidine-4,5-diamine
CID 22544181

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-bromo-2-ethylphenyl)-6-propoxypyrimidine-4,5-diamine?
The IUPAC name of 4-N-(4-bromo-2-ethylphenyl)-6-propoxypyrimidine-4,5-diamine (CID 81289753) is 4-N-(4-bromo-2-ethylphenyl)-6-propoxypyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(4-bromo-2-ethylphenyl)-6-propoxypyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(4-bromo-2-ethylphenyl)-6-propoxypyrimidine-4,5-diamine is CCCOc1ncnc(Nc2ccc(Br)cc2CC)c1N.
What is the InChIKey of 4-N-(4-bromo-2-ethylphenyl)-6-propoxypyrimidine-4,5-diamine?
The InChIKey is BSZRINPXNCJVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4O/c1-3-7-21-15-13(17)14(18-9-19-15)20-12-6-5-11(16)8-10(12)4-2/h5-6,8-9H,3-4,7,17H2,1-2H3,(H,18,19,20).
What are the key properties of 4-N-(4-bromo-2-ethylphenyl)-6-propoxypyrimidine-4,5-diamine?
4-N-(4-bromo-2-ethylphenyl)-6-propoxypyrimidine-4,5-diamine has a molecular weight of 351.25 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-bromo-2-ethylphenyl)-6-propoxypyrimidine-4,5-diamine is sourced from PubChem (CID 81289753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).