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

C11H16BrN3O2 — CID 66298788

IUPAC5-bromo-6-(methoxymethyl)-2-(oxan-4-yl)pyrimidin-4-amine
SMILESCOCc1nc(C2CCOCC2)nc(N)c1Br
InChIInChI=1S/C11H16BrN3O2/c1-16-6-8-9(12)10(13)15-11(14-8)7-2-4-17-5-3-7/h7H,2-6H2,1H3,(H2,13,14,15)
InChIKeyAYWAADCRSXDEJE-UHFFFAOYSA-N
MW302.17 g/mol
LogP1.86
Rot. Bonds3

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

5-bromo-6-(methoxymethyl)-2-(oxan-4-yl)pyrimidin-4-amine (PubChem CID 66298788) has the molecular formula C11H16BrN3O2 and a molecular weight of 302.17 g/mol. Its IUPAC name is 5-bromo-6-(methoxymethyl)-2-(oxan-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-(methoxymethyl)-2-(oxan-4-yl)pyrimidin-4-amine
PubChem CID66298788
Molecular FormulaC11H16BrN3O2
Molecular Weight302.17 g/mol
Exact Mass301.04
IUPAC Name5-bromo-6-(methoxymethyl)-2-(oxan-4-yl)pyrimidin-4-amine
SMILESCOCc1nc(C2CCOCC2)nc(N)c1Br
InChIInChI=1S/C11H16BrN3O2/c1-16-6-8-9(12)10(13)15-11(14-8)7-2-4-17-5-3-7/h7H,2-6H2,1H3,(H2,13,14,15)
InChIKeyAYWAADCRSXDEJE-UHFFFAOYSA-N
XLogP1.86
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-bromo-6-(methoxymethyl)-2-(oxan-4-yl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-iodo-6-(methoxymethyl)-2-(oxan-4-yl)pyrimidin-4-amine
CID 66302403
5-bromo-6-(methoxymethyl)-2-(4-methylcyclohexyl)pyrimidin-4-amine
CID 66300160
5-bromo-2-(4-tert-butylcyclohexyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 66298196
5-bromo-6-(methoxymethyl)-2-(3-methylcyclopentyl)pyrimidin-4-amine
CID 66298195
5-bromo-4-chloro-6-(methoxymethyl)-2-(oxolan-3-yl)pyrimidine
CID 66293236
5-bromo-2-(3,4-dihydro-2H-chromen-4-yl)-6-(methoxymethyl)pyrimidin-4-amine
CID 66300749
5-bromo-4-chloro-6-ethyl-2-(oxan-4-yl)pyrimidine
CID 66294218
2-cycloheptyl-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
CID 66304036
5-bromo-2-cyclooctyl-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 80609914
5-bromo-4-chloro-6-(methoxymethyl)-2-(4-propan-2-ylcyclohexyl)pyrimidine
CID 66293644
5-bromo-2-cyclooctyl-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 80610799
4-ethyl-6-(oxan-4-yl)-1,3,5-triazin-2-amine
CID 65334319

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(methoxymethyl)-2-(oxan-4-yl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-(methoxymethyl)-2-(oxan-4-yl)pyrimidin-4-amine (CID 66298788) is 5-bromo-6-(methoxymethyl)-2-(oxan-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-(methoxymethyl)-2-(oxan-4-yl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-(methoxymethyl)-2-(oxan-4-yl)pyrimidin-4-amine is COCc1nc(C2CCOCC2)nc(N)c1Br.
What is the InChIKey of 5-bromo-6-(methoxymethyl)-2-(oxan-4-yl)pyrimidin-4-amine?
The InChIKey is AYWAADCRSXDEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O2/c1-16-6-8-9(12)10(13)15-11(14-8)7-2-4-17-5-3-7/h7H,2-6H2,1H3,(H2,13,14,15).
What are the key properties of 5-bromo-6-(methoxymethyl)-2-(oxan-4-yl)pyrimidin-4-amine?
5-bromo-6-(methoxymethyl)-2-(oxan-4-yl)pyrimidin-4-amine has a molecular weight of 302.17 g/mol, XLogP of 1.86, 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-(oxan-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 66298788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).