5-bromo-2-(2-methoxy-4-methylphenyl)pyrimidin-4-amine

C12H12BrN3O — CID 106793083

IUPAC5-bromo-2-(2-methoxy-4-methylphenyl)pyrimidin-4-amine
SMILESCOc1cc(C)ccc1-c1ncc(Br)c(N)n1
InChIInChI=1S/C12H12BrN3O/c1-7-3-4-8(10(5-7)17-2)12-15-6-9(13)11(14)16-12/h3-6H,1-2H3,(H2,14,15,16)
InChIKeyDBCSNNDSHKORHW-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.81
Rot. Bonds2

About 5-bromo-2-(2-methoxy-4-methylphenyl)pyrimidin-4-amine

5-bromo-2-(2-methoxy-4-methylphenyl)pyrimidin-4-amine (PubChem CID 106793083) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is 5-bromo-2-(2-methoxy-4-methylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(2-methoxy-4-methylphenyl)pyrimidin-4-amine
PubChem CID106793083
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC Name5-bromo-2-(2-methoxy-4-methylphenyl)pyrimidin-4-amine
SMILESCOc1cc(C)ccc1-c1ncc(Br)c(N)n1
InChIInChI=1S/C12H12BrN3O/c1-7-3-4-8(10(5-7)17-2)12-15-6-9(13)11(14)16-12/h3-6H,1-2H3,(H2,14,15,16)
InChIKeyDBCSNNDSHKORHW-UHFFFAOYSA-N
XLogP2.81
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-amino-2-(2-methoxy-4-methylphenyl)pyrimidine-5-carboxylate
CID 106793658
(1R)-1-[2-(2-methoxy-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanamine
CID 106793249
5-bromo-2-(4-fluoro-3-methoxyphenyl)pyrimidin-4-amine
CID 107922895
(1S)-1-[2-(2-methoxy-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanol
CID 106793259
2-(2-methoxy-4-methylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 106792982
4-(2-methoxy-4-methylphenyl)-6-methyl-1,3,5-triazin-2-amine
CID 106793544
1-[2-(2-methoxy-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanone
CID 106793219
4-amino-2-(2-methoxy-4-methylphenyl)-6-methylpyrimidine-5-carboxamide
CID 106793665
2-(2-methoxy-4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 106792974
5-bromo-2-(2-bromo-3,4-difluorophenyl)pyrimidin-4-amine
CID 107539770
1-(2-bromophenyl)-2-methoxy-4-methylbenzene
CID 171366737
2-(4-chloro-2-methoxyphenyl)-6-methylquinazolin-4-amine
CID 64983776

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-methoxy-4-methylphenyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(2-methoxy-4-methylphenyl)pyrimidin-4-amine (CID 106793083) is 5-bromo-2-(2-methoxy-4-methylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(2-methoxy-4-methylphenyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(2-methoxy-4-methylphenyl)pyrimidin-4-amine is COc1cc(C)ccc1-c1ncc(Br)c(N)n1.
What is the InChIKey of 5-bromo-2-(2-methoxy-4-methylphenyl)pyrimidin-4-amine?
The InChIKey is DBCSNNDSHKORHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c1-7-3-4-8(10(5-7)17-2)12-15-6-9(13)11(14)16-12/h3-6H,1-2H3,(H2,14,15,16).
What are the key properties of 5-bromo-2-(2-methoxy-4-methylphenyl)pyrimidin-4-amine?
5-bromo-2-(2-methoxy-4-methylphenyl)pyrimidin-4-amine has a molecular weight of 294.15 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-methoxy-4-methylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 106793083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).