3-bromo-4-methyl-2-N-(oxolan-3-ylmethyl)pyridine-2,5-diamine

C11H16BrN3O — CID 104506777

IUPAC3-bromo-4-methyl-2-N-(oxolan-3-ylmethyl)pyridine-2,5-diamine
SMILESCc1c(N)cnc(NCC2CCOC2)c1Br
InChIInChI=1S/C11H16BrN3O/c1-7-9(13)5-15-11(10(7)12)14-4-8-2-3-16-6-8/h5,8H,2-4,6,13H2,1H3,(H,14,15)
InChIKeyIHOQZJMPTGHFEC-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.18
Rot. Bonds3

About 3-bromo-4-methyl-2-N-(oxolan-3-ylmethyl)pyridine-2,5-diamine

3-bromo-4-methyl-2-N-(oxolan-3-ylmethyl)pyridine-2,5-diamine (PubChem CID 104506777) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is 3-bromo-4-methyl-2-N-(oxolan-3-ylmethyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-4-methyl-2-N-(oxolan-3-ylmethyl)pyridine-2,5-diamine
PubChem CID104506777
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name3-bromo-4-methyl-2-N-(oxolan-3-ylmethyl)pyridine-2,5-diamine
SMILESCc1c(N)cnc(NCC2CCOC2)c1Br
InChIInChI=1S/C11H16BrN3O/c1-7-9(13)5-15-11(10(7)12)14-4-8-2-3-16-6-8/h5,8H,2-4,6,13H2,1H3,(H,14,15)
InChIKeyIHOQZJMPTGHFEC-UHFFFAOYSA-N
XLogP2.18
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-2-N-(1,4-dioxan-2-ylmethyl)-4-methylpyridine-2,5-diamine
CID 104506484
5-bromo-2-N-(oxolan-3-ylmethyl)pyridine-2,3-diamine
CID 62823635
3-bromo-5-methyl-N-(oxolan-3-ylmethyl)pyridin-2-amine
CID 105366780
5-bromo-3-methyl-N-(oxolan-3-ylmethyl)pyridin-2-amine
CID 79718882
3-bromo-4-methyl-2-N-(oxan-4-yl)pyridine-2,5-diamine
CID 104506459
5-methyl-2-N-(oxolan-3-ylmethyl)pyridine-2,4-diamine
CID 83265537
3-bromo-2-N-ethyl-4-methylpyridine-2,5-diamine
CID 104506234
6-chloro-5-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine
CID 63728364
3-bromo-2-N-(oxan-3-ylmethyl)pyridine-2,5-diamine
CID 79535173
3-bromo-2-N-(1,4-dithian-2-ylmethyl)-4-methylpyridine-2,5-diamine
CID 113489304
3-methyl-2-N-(oxan-4-ylmethyl)pyridine-2,5-diamine
CID 63726632
5-fluoro-6-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine
CID 103634945

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-2-N-(oxolan-3-ylmethyl)pyridine-2,5-diamine?
The IUPAC name of 3-bromo-4-methyl-2-N-(oxolan-3-ylmethyl)pyridine-2,5-diamine (CID 104506777) is 3-bromo-4-methyl-2-N-(oxolan-3-ylmethyl)pyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-4-methyl-2-N-(oxolan-3-ylmethyl)pyridine-2,5-diamine?
The canonical SMILES for 3-bromo-4-methyl-2-N-(oxolan-3-ylmethyl)pyridine-2,5-diamine is Cc1c(N)cnc(NCC2CCOC2)c1Br.
What is the InChIKey of 3-bromo-4-methyl-2-N-(oxolan-3-ylmethyl)pyridine-2,5-diamine?
The InChIKey is IHOQZJMPTGHFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c1-7-9(13)5-15-11(10(7)12)14-4-8-2-3-16-6-8/h5,8H,2-4,6,13H2,1H3,(H,14,15).
What are the key properties of 3-bromo-4-methyl-2-N-(oxolan-3-ylmethyl)pyridine-2,5-diamine?
3-bromo-4-methyl-2-N-(oxolan-3-ylmethyl)pyridine-2,5-diamine has a molecular weight of 286.17 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-2-N-(oxolan-3-ylmethyl)pyridine-2,5-diamine is sourced from PubChem (CID 104506777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).