4-[(2-bromophenyl)methoxy]-5-methylpyrimidin-2-amine

C12H12BrN3O — CID 82825383

IUPAC4-[(2-bromophenyl)methoxy]-5-methylpyrimidin-2-amine
SMILESCc1cnc(N)nc1OCc1ccccc1Br
InChIInChI=1S/C12H12BrN3O/c1-8-6-15-12(14)16-11(8)17-7-9-4-2-3-5-10(9)13/h2-6H,7H2,1H3,(H2,14,15,16)
InChIKeyVJWWDEHQPNBDKB-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.71
Rot. Bonds3

About 4-[(2-bromophenyl)methoxy]-5-methylpyrimidin-2-amine

4-[(2-bromophenyl)methoxy]-5-methylpyrimidin-2-amine (PubChem CID 82825383) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is 4-[(2-bromophenyl)methoxy]-5-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[(2-bromophenyl)methoxy]-5-methylpyrimidin-2-amine
PubChem CID82825383
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC Name4-[(2-bromophenyl)methoxy]-5-methylpyrimidin-2-amine
SMILESCc1cnc(N)nc1OCc1ccccc1Br
InChIInChI=1S/C12H12BrN3O/c1-8-6-15-12(14)16-11(8)17-7-9-4-2-3-5-10(9)13/h2-6H,7H2,1H3,(H2,14,15,16)
InChIKeyVJWWDEHQPNBDKB-UHFFFAOYSA-N
XLogP2.71
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(2-bromophenyl)methoxy]-5-methylpyrimidin-2-amine 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

4-[(2-bromophenyl)methoxy]-5-chloropyrimidin-2-amine
CID 82824989
6-[(2-bromophenyl)methoxy]-5-methylpyridin-3-amine
CID 82827886
4-[(2-bromophenyl)methoxy]-5-methyl-N-propylpyrimidin-2-amine
CID 82826084
5-bromo-4-[(2-fluorophenyl)methoxy]pyrimidin-2-amine
CID 80876188
4-(2-ethylphenoxy)-5-methylpyrimidin-2-amine
CID 80875950
4-(1-bromonaphthalen-2-yl)oxy-5-methylpyrimidin-2-amine
CID 80866110
4-[(2-bromophenyl)methoxy]-2,5-dimethylaniline
CID 55158064
5-methyl-4-propoxypyrimidin-2-amine
CID 80864998
3-[(2-bromophenyl)methoxy]-4-methylaniline
CID 43520223
[2-[(2-bromophenyl)methoxy]-4-methylpyrimidin-5-yl]methanamine
CID 83195620
[2-[(2-bromophenyl)methoxy]-3-pyridinyl]methanamine
CID 82828202
1-[(2-bromophenyl)methoxy]-4-(chloromethyl)isoquinoline
CID 106769652

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromophenyl)methoxy]-5-methylpyrimidin-2-amine?
The IUPAC name of 4-[(2-bromophenyl)methoxy]-5-methylpyrimidin-2-amine (CID 82825383) is 4-[(2-bromophenyl)methoxy]-5-methylpyrimidin-2-amine.
What is the SMILES notation for 4-[(2-bromophenyl)methoxy]-5-methylpyrimidin-2-amine?
The canonical SMILES for 4-[(2-bromophenyl)methoxy]-5-methylpyrimidin-2-amine is Cc1cnc(N)nc1OCc1ccccc1Br.
What is the InChIKey of 4-[(2-bromophenyl)methoxy]-5-methylpyrimidin-2-amine?
The InChIKey is VJWWDEHQPNBDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c1-8-6-15-12(14)16-11(8)17-7-9-4-2-3-5-10(9)13/h2-6H,7H2,1H3,(H2,14,15,16).
What are the key properties of 4-[(2-bromophenyl)methoxy]-5-methylpyrimidin-2-amine?
4-[(2-bromophenyl)methoxy]-5-methylpyrimidin-2-amine has a molecular weight of 294.15 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromophenyl)methoxy]-5-methylpyrimidin-2-amine is sourced from PubChem (CID 82825383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).