5-bromo-4-methoxy-N-[(2-methoxyphenyl)methyl]pyrimidin-2-amine

C13H14BrN3O2 — CID 103726609

IUPAC5-bromo-4-methoxy-N-[(2-methoxyphenyl)methyl]pyrimidin-2-amine
SMILESCOc1ccccc1CNc1ncc(Br)c(OC)n1
InChIInChI=1S/C13H14BrN3O2/c1-18-11-6-4-3-5-9(11)7-15-13-16-8-10(14)12(17-13)19-2/h3-6,8H,7H2,1-2H3,(H,15,16,17)
InChIKeyONCRDGLNEYECLX-UHFFFAOYSA-N
MW324.18 g/mol
LogP2.87
Rot. Bonds5

About 5-bromo-4-methoxy-N-[(2-methoxyphenyl)methyl]pyrimidin-2-amine

5-bromo-4-methoxy-N-[(2-methoxyphenyl)methyl]pyrimidin-2-amine (PubChem CID 103726609) has the molecular formula C13H14BrN3O2 and a molecular weight of 324.18 g/mol. Its IUPAC name is 5-bromo-4-methoxy-N-[(2-methoxyphenyl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-methoxy-N-[(2-methoxyphenyl)methyl]pyrimidin-2-amine
PubChem CID103726609
Molecular FormulaC13H14BrN3O2
Molecular Weight324.18 g/mol
Exact Mass323.03
IUPAC Name5-bromo-4-methoxy-N-[(2-methoxyphenyl)methyl]pyrimidin-2-amine
SMILESCOc1ccccc1CNc1ncc(Br)c(OC)n1
InChIInChI=1S/C13H14BrN3O2/c1-18-11-6-4-3-5-9(11)7-15-13-16-8-10(14)12(17-13)19-2/h3-6,8H,7H2,1-2H3,(H,15,16,17)
InChIKeyONCRDGLNEYECLX-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

5-bromo-N-[(2-bromophenyl)methyl]-4-methoxypyrimidin-2-amine
CID 103745919
5-bromo-2-N-ethyl-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 80769855
N-[(2-methoxyphenyl)methyl]quinazolin-2-amine
CID 114788826
1-[2-(5-bromo-4-methoxypyrimidin-2-yl)oxyphenyl]-N-methylmethanamine
CID 106998413
5-bromo-4-N-[2-(2-methoxyphenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine
CID 106262690
2,4,6-tribromo-N-[(2-methoxyphenyl)methyl]aniline
CID 28991915
5-bromo-4-methoxy-N-(2-phenylpropan-2-yl)pyrimidin-2-amine
CID 114264125
6-methoxy-2-N-[(2-methoxyphenyl)methyl]pyridine-2,5-diamine
CID 43260997
5-bromo-N-(1H-imidazol-2-ylmethyl)-4-methoxypyrimidin-2-amine
CID 106997790
2-N-benzyl-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112889572
5-bromo-N-iodo-4-methoxypyrimidin-2-amine
CID 147407713
5-bromo-4-methoxy-N-(4-methoxybutyl)pyrimidin-2-amine
CID 103745831

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methoxy-N-[(2-methoxyphenyl)methyl]pyrimidin-2-amine?
The IUPAC name of 5-bromo-4-methoxy-N-[(2-methoxyphenyl)methyl]pyrimidin-2-amine (CID 103726609) is 5-bromo-4-methoxy-N-[(2-methoxyphenyl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-methoxy-N-[(2-methoxyphenyl)methyl]pyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-methoxy-N-[(2-methoxyphenyl)methyl]pyrimidin-2-amine is COc1ccccc1CNc1ncc(Br)c(OC)n1.
What is the InChIKey of 5-bromo-4-methoxy-N-[(2-methoxyphenyl)methyl]pyrimidin-2-amine?
The InChIKey is ONCRDGLNEYECLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2/c1-18-11-6-4-3-5-9(11)7-15-13-16-8-10(14)12(17-13)19-2/h3-6,8H,7H2,1-2H3,(H,15,16,17).
What are the key properties of 5-bromo-4-methoxy-N-[(2-methoxyphenyl)methyl]pyrimidin-2-amine?
5-bromo-4-methoxy-N-[(2-methoxyphenyl)methyl]pyrimidin-2-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 5-bromo-4-methoxy-N-[(2-methoxyphenyl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 103726609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).