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

C11H12BrN3O2 — CID 104806840

IUPAC5-bromo-6-(methoxymethyl)-2-(3-methylfuran-2-yl)pyrimidin-4-amine
SMILESCOCc1nc(-c2occc2C)nc(N)c1Br
InChIInChI=1S/C11H12BrN3O2/c1-6-3-4-17-9(6)11-14-7(5-16-2)8(12)10(13)15-11/h3-4H,5H2,1-2H3,(H2,13,14,15)
InChIKeyPAHONZQHOASRHX-UHFFFAOYSA-N
MW298.14 g/mol
LogP2.54
Rot. Bonds3

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

5-bromo-6-(methoxymethyl)-2-(3-methylfuran-2-yl)pyrimidin-4-amine (PubChem CID 104806840) has the molecular formula C11H12BrN3O2 and a molecular weight of 298.14 g/mol. Its IUPAC name is 5-bromo-6-(methoxymethyl)-2-(3-methylfuran-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-(methoxymethyl)-2-(3-methylfuran-2-yl)pyrimidin-4-amine
PubChem CID104806840
Molecular FormulaC11H12BrN3O2
Molecular Weight298.14 g/mol
Exact Mass297.01
IUPAC Name5-bromo-6-(methoxymethyl)-2-(3-methylfuran-2-yl)pyrimidin-4-amine
SMILESCOCc1nc(-c2occc2C)nc(N)c1Br
InChIInChI=1S/C11H12BrN3O2/c1-6-3-4-17-9(6)11-14-7(5-16-2)8(12)10(13)15-11/h3-4H,5H2,1-2H3,(H2,13,14,15)
InChIKeyPAHONZQHOASRHX-UHFFFAOYSA-N
XLogP2.54
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-(3-methylfuran-2-yl)-6-(2-methylpropyl)pyrimidin-4-amine
CID 104806896
6-ethyl-5-methyl-2-(3-methylfuran-2-yl)pyrimidin-4-amine
CID 104806721
5-bromo-2-(3-methylfuran-2-yl)-6-propan-2-ylpyrimidin-4-amine
CID 113455467
5-bromo-6-(methoxymethyl)-2-(5-methylthiophen-2-yl)pyrimidin-4-amine
CID 66297571
5-bromo-6-(methoxymethyl)-2-quinolin-4-ylpyrimidin-4-amine
CID 66297765
5-bromo-6-(methoxymethyl)-2-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 66298593
5-bromo-6-(methoxymethyl)-2-(6-methoxypyridazin-3-yl)pyrimidin-4-amine
CID 103375038
5-bromo-6-(methoxymethyl)-2-(2-methoxyphenyl)pyrimidin-4-amine
CID 66300553
5-bromo-6-(methoxymethyl)-2-(1-methylpyrazol-3-yl)pyrimidin-4-amine
CID 66299373
5-bromo-2-(2,3-dimethoxyphenyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 66295840
5-bromo-6-(methoxymethyl)-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 66295836
2-(3-bromofuran-2-yl)-4-chloro-5-iodo-6-(methoxymethyl)pyrimidine
CID 106886187

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(methoxymethyl)-2-(3-methylfuran-2-yl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-(methoxymethyl)-2-(3-methylfuran-2-yl)pyrimidin-4-amine (CID 104806840) is 5-bromo-6-(methoxymethyl)-2-(3-methylfuran-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-(methoxymethyl)-2-(3-methylfuran-2-yl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-(methoxymethyl)-2-(3-methylfuran-2-yl)pyrimidin-4-amine is COCc1nc(-c2occc2C)nc(N)c1Br.
What is the InChIKey of 5-bromo-6-(methoxymethyl)-2-(3-methylfuran-2-yl)pyrimidin-4-amine?
The InChIKey is PAHONZQHOASRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O2/c1-6-3-4-17-9(6)11-14-7(5-16-2)8(12)10(13)15-11/h3-4H,5H2,1-2H3,(H2,13,14,15).
What are the key properties of 5-bromo-6-(methoxymethyl)-2-(3-methylfuran-2-yl)pyrimidin-4-amine?
5-bromo-6-(methoxymethyl)-2-(3-methylfuran-2-yl)pyrimidin-4-amine has a molecular weight of 298.14 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(methoxymethyl)-2-(3-methylfuran-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 104806840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).