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

C14H17BrN4O — CID 81292242

IUPAC4-N-(4-bromo-2-ethylphenyl)-6-ethoxypyrimidine-4,5-diamine
SMILESCCOc1ncnc(Nc2ccc(Br)cc2CC)c1N
InChIInChI=1S/C14H17BrN4O/c1-3-9-7-10(15)5-6-11(9)19-13-12(16)14(20-4-2)18-8-17-13/h5-8H,3-4,16H2,1-2H3,(H,17,18,19)
InChIKeyVAUYUKXCJWGWQK-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.53
Rot. Bonds5

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

4-N-(4-bromo-2-ethylphenyl)-6-ethoxypyrimidine-4,5-diamine (PubChem CID 81292242) has the molecular formula C14H17BrN4O and a molecular weight of 337.22 g/mol. Its IUPAC name is 4-N-(4-bromo-2-ethylphenyl)-6-ethoxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(4-bromo-2-ethylphenyl)-6-ethoxypyrimidine-4,5-diamine
PubChem CID81292242
Molecular FormulaC14H17BrN4O
Molecular Weight337.22 g/mol
Exact Mass336.06
IUPAC Name4-N-(4-bromo-2-ethylphenyl)-6-ethoxypyrimidine-4,5-diamine
SMILESCCOc1ncnc(Nc2ccc(Br)cc2CC)c1N
InChIInChI=1S/C14H17BrN4O/c1-3-9-7-10(15)5-6-11(9)19-13-12(16)14(20-4-2)18-8-17-13/h5-8H,3-4,16H2,1-2H3,(H,17,18,19)
InChIKeyVAUYUKXCJWGWQK-UHFFFAOYSA-N
XLogP3.53
TPSA73.06 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 ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(4-bromo-2-ethylphenyl)-6-propoxypyrimidine-4,5-diamine
CID 81289753
4-N-(4-bromo-2-ethylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 81288855
4-N-(2,5-difluorophenyl)-6-ethoxypyrimidine-4,5-diamine
CID 19152457
6-ethoxy-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
CID 19148280
4-[(5-amino-6-ethoxypyrimidin-4-yl)amino]-3-chlorobenzonitrile
CID 107806981
6-ethoxy-4-N-(4-ethoxyphenyl)pyrimidine-4,5-diamine
CID 19149233
4-N-(3,4-dimethylphenyl)-6-ethoxypyrimidine-4,5-diamine
CID 22546283
4-N-(5-chloro-2,4-dimethoxyphenyl)-6-ethoxypyrimidine-4,5-diamine
CID 19152445
4-(4-bromo-2-ethylanilino)pyrimidine-5-carboxylic acid
CID 114214554
6-ethoxy-4-N-ethylpyrimidine-4,5-diamine
CID 19135293
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

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-bromo-2-ethylphenyl)-6-ethoxypyrimidine-4,5-diamine?
The IUPAC name of 4-N-(4-bromo-2-ethylphenyl)-6-ethoxypyrimidine-4,5-diamine (CID 81292242) is 4-N-(4-bromo-2-ethylphenyl)-6-ethoxypyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(4-bromo-2-ethylphenyl)-6-ethoxypyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(4-bromo-2-ethylphenyl)-6-ethoxypyrimidine-4,5-diamine is CCOc1ncnc(Nc2ccc(Br)cc2CC)c1N.
What is the InChIKey of 4-N-(4-bromo-2-ethylphenyl)-6-ethoxypyrimidine-4,5-diamine?
The InChIKey is VAUYUKXCJWGWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O/c1-3-9-7-10(15)5-6-11(9)19-13-12(16)14(20-4-2)18-8-17-13/h5-8H,3-4,16H2,1-2H3,(H,17,18,19).
What are the key properties of 4-N-(4-bromo-2-ethylphenyl)-6-ethoxypyrimidine-4,5-diamine?
4-N-(4-bromo-2-ethylphenyl)-6-ethoxypyrimidine-4,5-diamine has a molecular weight of 337.22 g/mol, XLogP of 3.53, 5 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-ethoxypyrimidine-4,5-diamine is sourced from PubChem (CID 81292242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).