4-N-(2-bromo-5-methoxyphenyl)pyrimidine-4,5-diamine

C11H11BrN4O — CID 79918834

IUPAC4-N-(2-bromo-5-methoxyphenyl)pyrimidine-4,5-diamine
SMILESCOc1ccc(Br)c(Nc2ncncc2N)c1
InChIInChI=1S/C11H11BrN4O/c1-17-7-2-3-8(12)10(4-7)16-11-9(13)5-14-6-15-11/h2-6H,13H2,1H3,(H,14,15,16)
InChIKeySRTSFCKJXNXWRK-UHFFFAOYSA-N
MW295.14 g/mol
LogP2.57
Rot. Bonds3

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

4-N-(2-bromo-5-methoxyphenyl)pyrimidine-4,5-diamine (PubChem CID 79918834) has the molecular formula C11H11BrN4O and a molecular weight of 295.14 g/mol. Its IUPAC name is 4-N-(2-bromo-5-methoxyphenyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(2-bromo-5-methoxyphenyl)pyrimidine-4,5-diamine
PubChem CID79918834
Molecular FormulaC11H11BrN4O
Molecular Weight295.14 g/mol
Exact Mass294.01
IUPAC Name4-N-(2-bromo-5-methoxyphenyl)pyrimidine-4,5-diamine
SMILESCOc1ccc(Br)c(Nc2ncncc2N)c1
InChIInChI=1S/C11H11BrN4O/c1-17-7-2-3-8(12)10(4-7)16-11-9(13)5-14-6-15-11/h2-6H,13H2,1H3,(H,14,15,16)
InChIKeySRTSFCKJXNXWRK-UHFFFAOYSA-N
XLogP2.57
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-(2-bromo-5-methoxyphenyl)pyrimidine-4,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-2-N-(2-bromo-5-methoxyphenyl)pyridine-2,5-diamine
CID 79534385
N-(2-bromo-5-methoxyphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80924194
4-N-(2-bromo-5-methoxyphenyl)-5-chloropyrimidine-2,4-diamine
CID 80846775
4-N-(2-bromo-5-methoxyphenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80829815
4-(2-bromo-4-methoxyphenoxy)pyrimidin-5-amine
CID 104706575
1-N-(2-bromo-5-methoxyphenyl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 103590503
N-(2-bromo-5-methoxyphenyl)-5-methoxyquinazolin-4-amine;hydrochloride
CID 22140737
2-(5-bromopyrimidin-4-yl)oxy-4-methoxyaniline
CID 102703005
5-bromo-4-N-(2-chloro-5-methoxyphenyl)pyrimidine-4,6-diamine
CID 114072136
4-N-(2-bromo-5-methoxyphenyl)quinazoline-2,4-diamine
CID 80829921
4-N-(4-chloro-2-methoxy-5-methylphenyl)pyrimidine-4,5-diamine
CID 79915939
4-N-(2-bromo-5-methoxyphenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80847879

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-bromo-5-methoxyphenyl)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-(2-bromo-5-methoxyphenyl)pyrimidine-4,5-diamine (CID 79918834) is 4-N-(2-bromo-5-methoxyphenyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(2-bromo-5-methoxyphenyl)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(2-bromo-5-methoxyphenyl)pyrimidine-4,5-diamine is COc1ccc(Br)c(Nc2ncncc2N)c1.
What is the InChIKey of 4-N-(2-bromo-5-methoxyphenyl)pyrimidine-4,5-diamine?
The InChIKey is SRTSFCKJXNXWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O/c1-17-7-2-3-8(12)10(4-7)16-11-9(13)5-14-6-15-11/h2-6H,13H2,1H3,(H,14,15,16).
What are the key properties of 4-N-(2-bromo-5-methoxyphenyl)pyrimidine-4,5-diamine?
4-N-(2-bromo-5-methoxyphenyl)pyrimidine-4,5-diamine has a molecular weight of 295.14 g/mol, XLogP of 2.57, 3 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)pyrimidine-4,5-diamine is sourced from PubChem (CID 79918834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).