6-[(2-bromophenyl)methoxy]-5-methoxy-N-methylpyrimidin-4-amine

C13H14BrN3O2 — CID 82826086

IUPAC6-[(2-bromophenyl)methoxy]-5-methoxy-N-methylpyrimidin-4-amine
SMILESCNc1ncnc(OCc2ccccc2Br)c1OC
InChIInChI=1S/C13H14BrN3O2/c1-15-12-11(18-2)13(17-8-16-12)19-7-9-5-3-4-6-10(9)14/h3-6,8H,7H2,1-2H3,(H,15,16,17)
InChIKeyQJANOTZYKRHSJN-UHFFFAOYSA-N
MW324.18 g/mol
LogP2.87
Rot. Bonds5

About 6-[(2-bromophenyl)methoxy]-5-methoxy-N-methylpyrimidin-4-amine

6-[(2-bromophenyl)methoxy]-5-methoxy-N-methylpyrimidin-4-amine (PubChem CID 82826086) has the molecular formula C13H14BrN3O2 and a molecular weight of 324.18 g/mol. Its IUPAC name is 6-[(2-bromophenyl)methoxy]-5-methoxy-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(2-bromophenyl)methoxy]-5-methoxy-N-methylpyrimidin-4-amine
PubChem CID82826086
Molecular FormulaC13H14BrN3O2
Molecular Weight324.18 g/mol
Exact Mass323.03
IUPAC Name6-[(2-bromophenyl)methoxy]-5-methoxy-N-methylpyrimidin-4-amine
SMILESCNc1ncnc(OCc2ccccc2Br)c1OC
InChIInChI=1S/C13H14BrN3O2/c1-15-12-11(18-2)13(17-8-16-12)19-7-9-5-3-4-6-10(9)14/h3-6,8H,7H2,1-2H3,(H,15,16,17)
InChIKeyQJANOTZYKRHSJN-UHFFFAOYSA-N
XLogP2.87
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(2-bromophenyl)methoxy]-N,5-diethylpyrimidin-4-amine
CID 82825929
6-[(2-bromophenyl)methoxy]-N-ethyl-5-propylpyrimidin-4-amine
CID 82808450
5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-N-methylpyrimidin-4-amine
CID 104568270
1-[2-[(2-bromophenyl)methoxy]-3-pyridinyl]-N-methylmethanamine
CID 82831764
N-methyl-3-[(2,4,6-tribromophenoxy)methyl]pyridin-2-amine
CID 63485474
5-bromo-4-N-[2-(2-methoxyphenyl)ethyl]-6-N-methylpyrimidine-4,6-diamine
CID 106262696
6-[(2-chlorophenyl)methoxy]-5-ethyl-N-methylpyrimidin-4-amine
CID 80859300
6-[(2-bromophenyl)methoxy]-5-propylpyrimidin-4-amine
CID 82825781
3-[(2-methoxyphenoxy)methyl]-N-methylpyridin-2-amine
CID 62464422
4-[(2-bromophenyl)methoxy]-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103333313
6-bromo-N-[4-[(2-bromophenyl)methoxy]-3-methoxyphenyl]quinazolin-4-amine;hydrochloride
CID 67699153
6-[(4-bromophenyl)methoxy]-5-methoxy-N-propylpyrimidin-4-amine
CID 82807303

Frequently Asked Questions

What is the IUPAC name of 6-[(2-bromophenyl)methoxy]-5-methoxy-N-methylpyrimidin-4-amine?
The IUPAC name of 6-[(2-bromophenyl)methoxy]-5-methoxy-N-methylpyrimidin-4-amine (CID 82826086) is 6-[(2-bromophenyl)methoxy]-5-methoxy-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-[(2-bromophenyl)methoxy]-5-methoxy-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-[(2-bromophenyl)methoxy]-5-methoxy-N-methylpyrimidin-4-amine is CNc1ncnc(OCc2ccccc2Br)c1OC.
What is the InChIKey of 6-[(2-bromophenyl)methoxy]-5-methoxy-N-methylpyrimidin-4-amine?
The InChIKey is QJANOTZYKRHSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2/c1-15-12-11(18-2)13(17-8-16-12)19-7-9-5-3-4-6-10(9)14/h3-6,8H,7H2,1-2H3,(H,15,16,17).
What are the key properties of 6-[(2-bromophenyl)methoxy]-5-methoxy-N-methylpyrimidin-4-amine?
6-[(2-bromophenyl)methoxy]-5-methoxy-N-methylpyrimidin-4-amine has a molecular weight of 324.18 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-bromophenyl)methoxy]-5-methoxy-N-methylpyrimidin-4-amine is sourced from PubChem (CID 82826086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).