5-bromo-6-(methoxymethyl)-2-(6-methoxypyridazin-3-yl)pyrimidin-4-amine

C11H12BrN5O2 — CID 103375038

IUPAC5-bromo-6-(methoxymethyl)-2-(6-methoxypyridazin-3-yl)pyrimidin-4-amine
SMILESCOCc1nc(-c2ccc(OC)nn2)nc(N)c1Br
InChIInChI=1S/C11H12BrN5O2/c1-18-5-7-9(12)10(13)15-11(14-7)6-3-4-8(19-2)17-16-6/h3-4H,5H2,1-2H3,(H2,13,14,15)
InChIKeyGAGGJSPYMRSUTJ-UHFFFAOYSA-N
MW326.15 g/mol
LogP1.43
Rot. Bonds4

About 5-bromo-6-(methoxymethyl)-2-(6-methoxypyridazin-3-yl)pyrimidin-4-amine

5-bromo-6-(methoxymethyl)-2-(6-methoxypyridazin-3-yl)pyrimidin-4-amine (PubChem CID 103375038) has the molecular formula C11H12BrN5O2 and a molecular weight of 326.15 g/mol. Its IUPAC name is 5-bromo-6-(methoxymethyl)-2-(6-methoxypyridazin-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-(methoxymethyl)-2-(6-methoxypyridazin-3-yl)pyrimidin-4-amine
PubChem CID103375038
Molecular FormulaC11H12BrN5O2
Molecular Weight326.15 g/mol
Exact Mass325.02
IUPAC Name5-bromo-6-(methoxymethyl)-2-(6-methoxypyridazin-3-yl)pyrimidin-4-amine
SMILESCOCc1nc(-c2ccc(OC)nn2)nc(N)c1Br
InChIInChI=1S/C11H12BrN5O2/c1-18-5-7-9(12)10(13)15-11(14-7)6-3-4-8(19-2)17-16-6/h3-4H,5H2,1-2H3,(H2,13,14,15)
InChIKeyGAGGJSPYMRSUTJ-UHFFFAOYSA-N
XLogP1.43
TPSA96.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.15
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-bromo-2-(6-methoxypyridazin-3-yl)-6-propylpyrimidin-4-amine
CID 103375014
6-ethyl-2-(6-methoxypyridazin-3-yl)-5-methylpyrimidin-4-amine
CID 103375000
5-bromo-6-(methoxymethyl)-2-(1-methylpyrazol-3-yl)pyrimidin-4-amine
CID 66299373
5-bromo-6-(methoxymethyl)-2-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 66298593
5-bromo-6-(methoxymethyl)-2-(2-methoxyphenyl)pyrimidin-4-amine
CID 66300553
5-bromo-6-(methoxymethyl)-2-(5-methylthiophen-2-yl)pyrimidin-4-amine
CID 66297571
5-bromo-6-(methoxymethyl)-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 66295836
5-bromo-2-(2,3-dimethoxyphenyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 66295840
5-bromo-6-(methoxymethyl)-2-(3-methylfuran-2-yl)pyrimidin-4-amine
CID 104806840
2-(6-methoxypyridazin-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 103374994
5-bromo-2-(3-chloro-2-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 114488741
5-bromo-6-(methoxymethyl)-2-quinolin-4-ylpyrimidin-4-amine
CID 66297765

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(methoxymethyl)-2-(6-methoxypyridazin-3-yl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-(methoxymethyl)-2-(6-methoxypyridazin-3-yl)pyrimidin-4-amine (CID 103375038) is 5-bromo-6-(methoxymethyl)-2-(6-methoxypyridazin-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-(methoxymethyl)-2-(6-methoxypyridazin-3-yl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-(methoxymethyl)-2-(6-methoxypyridazin-3-yl)pyrimidin-4-amine is COCc1nc(-c2ccc(OC)nn2)nc(N)c1Br.
What is the InChIKey of 5-bromo-6-(methoxymethyl)-2-(6-methoxypyridazin-3-yl)pyrimidin-4-amine?
The InChIKey is GAGGJSPYMRSUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN5O2/c1-18-5-7-9(12)10(13)15-11(14-7)6-3-4-8(19-2)17-16-6/h3-4H,5H2,1-2H3,(H2,13,14,15).
What are the key properties of 5-bromo-6-(methoxymethyl)-2-(6-methoxypyridazin-3-yl)pyrimidin-4-amine?
5-bromo-6-(methoxymethyl)-2-(6-methoxypyridazin-3-yl)pyrimidin-4-amine has a molecular weight of 326.15 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(methoxymethyl)-2-(6-methoxypyridazin-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 103375038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).