3-bromo-N-(1,4-dioxan-2-ylmethyl)-5-methylpyridin-2-amine

C11H15BrN2O2 — CID 105366774

IUPAC3-bromo-N-(1,4-dioxan-2-ylmethyl)-5-methylpyridin-2-amine
SMILESCc1cnc(NCC2COCCO2)c(Br)c1
InChIInChI=1S/C11H15BrN2O2/c1-8-4-10(12)11(13-5-8)14-6-9-7-15-2-3-16-9/h4-5,9H,2-3,6-7H2,1H3,(H,13,14)
InChIKeyBCGDBHKOWNLXNQ-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.98
Rot. Bonds3

About 3-bromo-N-(1,4-dioxan-2-ylmethyl)-5-methylpyridin-2-amine

3-bromo-N-(1,4-dioxan-2-ylmethyl)-5-methylpyridin-2-amine (PubChem CID 105366774) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 3-bromo-N-(1,4-dioxan-2-ylmethyl)-5-methylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-(1,4-dioxan-2-ylmethyl)-5-methylpyridin-2-amine
PubChem CID105366774
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name3-bromo-N-(1,4-dioxan-2-ylmethyl)-5-methylpyridin-2-amine
SMILESCc1cnc(NCC2COCCO2)c(Br)c1
InChIInChI=1S/C11H15BrN2O2/c1-8-4-10(12)11(13-5-8)14-6-9-7-15-2-3-16-9/h4-5,9H,2-3,6-7H2,1H3,(H,13,14)
InChIKeyBCGDBHKOWNLXNQ-UHFFFAOYSA-N
XLogP1.98
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-5-methyl-N-(oxolan-3-ylmethyl)pyridin-2-amine
CID 105366780
5-bromo-N-(1,4-dioxan-2-ylmethyl)pyrimidin-4-amine
CID 66340765
5-bromo-N-(1,4-dioxan-2-ylmethyl)-3-fluoropyridin-2-amine
CID 104923956
3-bromo-2-N-(1,4-dioxan-2-ylmethyl)-4-methylpyridine-2,5-diamine
CID 104506484
N-(1,4-dioxan-2-ylmethyl)-5-methylpyridazin-3-amine
CID 106549581
5-bromo-4-N-(1,4-dioxan-2-ylmethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80796894
3-bromo-N-(cyclohexylmethyl)-5-methylpyridin-2-amine
CID 105366700
5-amino-6-(1,4-dioxan-2-ylmethylamino)pyridine-3-carboxylic acid
CID 81440048
3,5-dichloro-6-N-(1,4-dioxan-2-ylmethyl)-2-N-ethylpyridine-2,6-diamine
CID 102756439
3-bromo-5-methyl-N-(pyrrolidin-3-ylmethyl)pyridin-2-amine
CID 105367397
N-(1,4-dioxan-2-ylmethyl)-4-methylphthalazin-1-amine
CID 54893517
2-chloro-N-(1,4-dioxan-2-ylmethyl)-5-fluoropyrimidin-4-amine
CID 79080521

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1,4-dioxan-2-ylmethyl)-5-methylpyridin-2-amine?
The IUPAC name of 3-bromo-N-(1,4-dioxan-2-ylmethyl)-5-methylpyridin-2-amine (CID 105366774) is 3-bromo-N-(1,4-dioxan-2-ylmethyl)-5-methylpyridin-2-amine.
What is the SMILES notation for 3-bromo-N-(1,4-dioxan-2-ylmethyl)-5-methylpyridin-2-amine?
The canonical SMILES for 3-bromo-N-(1,4-dioxan-2-ylmethyl)-5-methylpyridin-2-amine is Cc1cnc(NCC2COCCO2)c(Br)c1.
What is the InChIKey of 3-bromo-N-(1,4-dioxan-2-ylmethyl)-5-methylpyridin-2-amine?
The InChIKey is BCGDBHKOWNLXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-8-4-10(12)11(13-5-8)14-6-9-7-15-2-3-16-9/h4-5,9H,2-3,6-7H2,1H3,(H,13,14).
What are the key properties of 3-bromo-N-(1,4-dioxan-2-ylmethyl)-5-methylpyridin-2-amine?
3-bromo-N-(1,4-dioxan-2-ylmethyl)-5-methylpyridin-2-amine has a molecular weight of 287.16 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1,4-dioxan-2-ylmethyl)-5-methylpyridin-2-amine is sourced from PubChem (CID 105366774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).