6-(4-bromophenoxy)-4-N-methyl-4-N-phenylpyrimidine-4,5-diamine

C17H15BrN4O — CID 19144569

IUPAC6-(4-bromophenoxy)-4-N-methyl-4-N-phenylpyrimidine-4,5-diamine
SMILESCN(c1ccccc1)c1ncnc(Oc2ccc(Br)cc2)c1N
InChIInChI=1S/C17H15BrN4O/c1-22(13-5-3-2-4-6-13)16-15(19)17(21-11-20-16)23-14-9-7-12(18)8-10-14/h2-11H,19H2,1H3
InChIKeyCUDWMQONLRBCGI-UHFFFAOYSA-N
MW371.24 g/mol
LogP4.38
Rot. Bonds4

About 6-(4-bromophenoxy)-4-N-methyl-4-N-phenylpyrimidine-4,5-diamine

6-(4-bromophenoxy)-4-N-methyl-4-N-phenylpyrimidine-4,5-diamine (PubChem CID 19144569) has the molecular formula C17H15BrN4O and a molecular weight of 371.24 g/mol. Its IUPAC name is 6-(4-bromophenoxy)-4-N-methyl-4-N-phenylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(4-bromophenoxy)-4-N-methyl-4-N-phenylpyrimidine-4,5-diamine
PubChem CID19144569
Molecular FormulaC17H15BrN4O
Molecular Weight371.24 g/mol
Exact Mass370.04
IUPAC Name6-(4-bromophenoxy)-4-N-methyl-4-N-phenylpyrimidine-4,5-diamine
SMILESCN(c1ccccc1)c1ncnc(Oc2ccc(Br)cc2)c1N
InChIInChI=1S/C17H15BrN4O/c1-22(13-5-3-2-4-6-13)16-15(19)17(21-11-20-16)23-14-9-7-12(18)8-10-14/h2-11H,19H2,1H3
InChIKeyCUDWMQONLRBCGI-UHFFFAOYSA-N
XLogP4.38
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.24
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(4-bromophenoxy)-4-N-methyl-4-N-phenylpyrimidine-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

6-(4-chloro-3,5-dimethylphenoxy)-4-N-methyl-4-N-phenylpyrimidine-4,5-diamine
CID 19144528
4-N-ethyl-6-(4-methylphenoxy)-4-N-phenylpyrimidine-4,5-diamine
CID 22539877
4-N-benzyl-6-(4-ethylphenoxy)-4-N-methylpyrimidine-4,5-diamine
CID 22539683
6-N-(4-bromo-2-fluorophenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine
CID 19144523
6-(4-bromophenoxy)-4-N-(2-chlorophenyl)pyrimidine-4,5-diamine
CID 19147998
6-(4-bromophenoxy)-5-propan-2-ylpyrimidin-4-amine
CID 80863794
6-(4-bromophenoxy)-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine
CID 19149185
4-(4-bromophenoxy)-6-(2,3-dihydroindol-1-yl)pyrimidin-5-amine
CID 22543348
4-(benzotriazol-1-yl)-6-(4-bromophenoxy)pyrimidin-5-amine
CID 19154403
4-(4-bromophenoxy)-6-piperidin-1-ylpyrimidin-5-amine
CID 19137603
6-(4-methoxyphenoxy)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5-diamine
CID 19141072
4-N-ethyl-6-(4-ethylphenoxy)-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
CID 22539446

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenoxy)-4-N-methyl-4-N-phenylpyrimidine-4,5-diamine?
The IUPAC name of 6-(4-bromophenoxy)-4-N-methyl-4-N-phenylpyrimidine-4,5-diamine (CID 19144569) is 6-(4-bromophenoxy)-4-N-methyl-4-N-phenylpyrimidine-4,5-diamine.
What is the SMILES notation for 6-(4-bromophenoxy)-4-N-methyl-4-N-phenylpyrimidine-4,5-diamine?
The canonical SMILES for 6-(4-bromophenoxy)-4-N-methyl-4-N-phenylpyrimidine-4,5-diamine is CN(c1ccccc1)c1ncnc(Oc2ccc(Br)cc2)c1N.
What is the InChIKey of 6-(4-bromophenoxy)-4-N-methyl-4-N-phenylpyrimidine-4,5-diamine?
The InChIKey is CUDWMQONLRBCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN4O/c1-22(13-5-3-2-4-6-13)16-15(19)17(21-11-20-16)23-14-9-7-12(18)8-10-14/h2-11H,19H2,1H3.
What are the key properties of 6-(4-bromophenoxy)-4-N-methyl-4-N-phenylpyrimidine-4,5-diamine?
6-(4-bromophenoxy)-4-N-methyl-4-N-phenylpyrimidine-4,5-diamine has a molecular weight of 371.24 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenoxy)-4-N-methyl-4-N-phenylpyrimidine-4,5-diamine is sourced from PubChem (CID 19144569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).