3-bromo-4-methyl-2-N-(1-morpholin-4-ylpropan-2-yl)pyridine-2,5-diamine

C13H21BrN4O — CID 104506572

IUPAC3-bromo-4-methyl-2-N-(1-morpholin-4-ylpropan-2-yl)pyridine-2,5-diamine
SMILESCc1c(N)cnc(NC(C)CN2CCOCC2)c1Br
InChIInChI=1S/C13H21BrN4O/c1-9(8-18-3-5-19-6-4-18)17-13-12(14)10(2)11(15)7-16-13/h7,9H,3-6,8,15H2,1-2H3,(H,16,17)
InChIKeyORNSGROZSRUPNR-UHFFFAOYSA-N
MW329.24 g/mol
LogP1.87
Rot. Bonds4

About 3-bromo-4-methyl-2-N-(1-morpholin-4-ylpropan-2-yl)pyridine-2,5-diamine

3-bromo-4-methyl-2-N-(1-morpholin-4-ylpropan-2-yl)pyridine-2,5-diamine (PubChem CID 104506572) has the molecular formula C13H21BrN4O and a molecular weight of 329.24 g/mol. Its IUPAC name is 3-bromo-4-methyl-2-N-(1-morpholin-4-ylpropan-2-yl)pyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-4-methyl-2-N-(1-morpholin-4-ylpropan-2-yl)pyridine-2,5-diamine
PubChem CID104506572
Molecular FormulaC13H21BrN4O
Molecular Weight329.24 g/mol
Exact Mass328.09
IUPAC Name3-bromo-4-methyl-2-N-(1-morpholin-4-ylpropan-2-yl)pyridine-2,5-diamine
SMILESCc1c(N)cnc(NC(C)CN2CCOCC2)c1Br
InChIInChI=1S/C13H21BrN4O/c1-9(8-18-3-5-19-6-4-18)17-13-12(14)10(2)11(15)7-16-13/h7,9H,3-6,8,15H2,1-2H3,(H,16,17)
InChIKeyORNSGROZSRUPNR-UHFFFAOYSA-N
XLogP1.87
TPSA63.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-4-methyl-2-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyridine-2,5-diamine
CID 104506810
5-amino-6-(1-morpholin-4-ylpropan-2-ylamino)pyridine-3-carboxylic acid
CID 81439860
5-bromo-2-hydrazinyl-N-(1-morpholin-4-ylpropan-2-yl)pyrimidin-4-amine
CID 80897348
3-bromo-4-methyl-2-N-(6-methylheptan-2-yl)pyridine-2,5-diamine
CID 104506559
2,5-dichloro-N-(1-morpholin-4-ylpropan-2-yl)pyrimidin-4-amine
CID 79633115
5-bromo-4-methyl-6-morpholin-4-ylpyridin-3-amine
CID 104506171
1,3-dimethyl-5-N-(1-morpholin-4-ylpropan-2-yl)pyrazole-4,5-diamine
CID 54965110
4-methyl-1-N-(1-morpholin-4-ylpropan-2-yl)benzene-1,2-diamine
CID 54965108
3-bromo-2-N-[5-(diethylamino)pentan-2-yl]-4-methylpyridine-2,5-diamine
CID 104506257
3-fluoro-N-(1-morpholin-4-ylpropan-2-yl)pyridin-2-amine
CID 62733426
3-iodo-N-(1-morpholin-4-ylpropan-2-yl)pyridin-2-amine
CID 75373063
3-bromo-2-N-(1-methoxy-3-methylbutan-2-yl)-4-methylpyridine-2,5-diamine
CID 104506932

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-2-N-(1-morpholin-4-ylpropan-2-yl)pyridine-2,5-diamine?
The IUPAC name of 3-bromo-4-methyl-2-N-(1-morpholin-4-ylpropan-2-yl)pyridine-2,5-diamine (CID 104506572) is 3-bromo-4-methyl-2-N-(1-morpholin-4-ylpropan-2-yl)pyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-4-methyl-2-N-(1-morpholin-4-ylpropan-2-yl)pyridine-2,5-diamine?
The canonical SMILES for 3-bromo-4-methyl-2-N-(1-morpholin-4-ylpropan-2-yl)pyridine-2,5-diamine is Cc1c(N)cnc(NC(C)CN2CCOCC2)c1Br.
What is the InChIKey of 3-bromo-4-methyl-2-N-(1-morpholin-4-ylpropan-2-yl)pyridine-2,5-diamine?
The InChIKey is ORNSGROZSRUPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN4O/c1-9(8-18-3-5-19-6-4-18)17-13-12(14)10(2)11(15)7-16-13/h7,9H,3-6,8,15H2,1-2H3,(H,16,17).
What are the key properties of 3-bromo-4-methyl-2-N-(1-morpholin-4-ylpropan-2-yl)pyridine-2,5-diamine?
3-bromo-4-methyl-2-N-(1-morpholin-4-ylpropan-2-yl)pyridine-2,5-diamine has a molecular weight of 329.24 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-2-N-(1-morpholin-4-ylpropan-2-yl)pyridine-2,5-diamine is sourced from PubChem (CID 104506572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).