5-bromo-N-methyl-N-(oxan-3-ylmethyl)pyrimidin-4-amine

C11H16BrN3O — CID 66318184

IUPAC5-bromo-N-methyl-N-(oxan-3-ylmethyl)pyrimidin-4-amine
SMILESCN(CC1CCCOC1)c1ncncc1Br
InChIInChI=1S/C11H16BrN3O/c1-15(6-9-3-2-4-16-7-9)11-10(12)5-13-8-14-11/h5,8-9H,2-4,6-7H2,1H3
InChIKeyZDQFWMAZFXPGGM-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.10
Rot. Bonds3

About 5-bromo-N-methyl-N-(oxan-3-ylmethyl)pyrimidin-4-amine

5-bromo-N-methyl-N-(oxan-3-ylmethyl)pyrimidin-4-amine (PubChem CID 66318184) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-(oxan-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-methyl-N-(oxan-3-ylmethyl)pyrimidin-4-amine
PubChem CID66318184
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name5-bromo-N-methyl-N-(oxan-3-ylmethyl)pyrimidin-4-amine
SMILESCN(CC1CCCOC1)c1ncncc1Br
InChIInChI=1S/C11H16BrN3O/c1-15(6-9-3-2-4-16-7-9)11-10(12)5-13-8-14-11/h5,8-9H,2-4,6-7H2,1H3
InChIKeyZDQFWMAZFXPGGM-UHFFFAOYSA-N
XLogP2.10
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-(oxan-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-methyl-N-(oxan-3-ylmethyl)pyrimidin-4-amine (CID 66318184) is 5-bromo-N-methyl-N-(oxan-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-methyl-N-(oxan-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-methyl-N-(oxan-3-ylmethyl)pyrimidin-4-amine is CN(CC1CCCOC1)c1ncncc1Br.
What is the InChIKey of 5-bromo-N-methyl-N-(oxan-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is ZDQFWMAZFXPGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c1-15(6-9-3-2-4-16-7-9)11-10(12)5-13-8-14-11/h5,8-9H,2-4,6-7H2,1H3.
What are the key properties of 5-bromo-N-methyl-N-(oxan-3-ylmethyl)pyrimidin-4-amine?
5-bromo-N-methyl-N-(oxan-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 286.17 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-(oxan-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 66318184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).