3-bromo-2-N-[2-(dimethylamino)ethyl]-4-methyl-2-N-propylpyridine-2,5-diamine

C13H23BrN4 — CID 104506702

IUPAC3-bromo-2-N-[2-(dimethylamino)ethyl]-4-methyl-2-N-propylpyridine-2,5-diamine
SMILESCCCN(CCN(C)C)c1ncc(N)c(C)c1Br
InChIInChI=1S/C13H23BrN4/c1-5-6-18(8-7-17(3)4)13-12(14)10(2)11(15)9-16-13/h9H,5-8,15H2,1-4H3
InChIKeyQJPCXNPIAORLPV-UHFFFAOYSA-N
MW315.26 g/mol
LogP2.51
Rot. Bonds6

About 3-bromo-2-N-[2-(dimethylamino)ethyl]-4-methyl-2-N-propylpyridine-2,5-diamine

3-bromo-2-N-[2-(dimethylamino)ethyl]-4-methyl-2-N-propylpyridine-2,5-diamine (PubChem CID 104506702) has the molecular formula C13H23BrN4 and a molecular weight of 315.26 g/mol. Its IUPAC name is 3-bromo-2-N-[2-(dimethylamino)ethyl]-4-methyl-2-N-propylpyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-2-N-[2-(dimethylamino)ethyl]-4-methyl-2-N-propylpyridine-2,5-diamine
PubChem CID104506702
Molecular FormulaC13H23BrN4
Molecular Weight315.26 g/mol
Exact Mass314.11
IUPAC Name3-bromo-2-N-[2-(dimethylamino)ethyl]-4-methyl-2-N-propylpyridine-2,5-diamine
SMILESCCCN(CCN(C)C)c1ncc(N)c(C)c1Br
InChIInChI=1S/C13H23BrN4/c1-5-6-18(8-7-17(3)4)13-12(14)10(2)11(15)9-16-13/h9H,5-8,15H2,1-4H3
InChIKeyQJPCXNPIAORLPV-UHFFFAOYSA-N
XLogP2.51
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.26
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-propylamino]ethanol
CID 104506524
3-bromo-4-methyl-2-N,2-N-bis(2-methylpropyl)pyridine-2,5-diamine
CID 104506452
3-bromo-2-N-(3-methoxypropyl)-2-N,4-dimethylpyridine-2,5-diamine
CID 104506805
[5-bromo-2-[2-(dimethylamino)ethyl-propylamino]-3-pyridinyl]methanol
CID 62001126
3-bromo-2-N,4-dimethyl-2-N-(2-phenylethyl)pyridine-2,5-diamine
CID 104506952
1-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-methylamino]-3-methoxypropan-2-ol
CID 113420435
6-[2-(dimethylamino)ethyl-propylamino]-5-methylpyridine-3-carboxylic acid
CID 80631658
5-bromo-6-butylsulfanyl-4-methylpyridin-3-amine
CID 104507641
5-amino-2-[2-(dimethylamino)ethyl-propylamino]pyridine-4-carboxamide
CID 114090298
N'-[3-chloro-5-(methylaminomethyl)-2-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 55059364
3-[[(5-amino-3-bromo-4-methyl-2-pyridinyl)-methylamino]methyl]cyclobutan-1-ol
CID 104506975
4-N-[2-(dimethylamino)ethyl]-5-propan-2-yl-4-N-propylpyrimidine-4,6-diamine
CID 80816434

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-N-[2-(dimethylamino)ethyl]-4-methyl-2-N-propylpyridine-2,5-diamine?
The IUPAC name of 3-bromo-2-N-[2-(dimethylamino)ethyl]-4-methyl-2-N-propylpyridine-2,5-diamine (CID 104506702) is 3-bromo-2-N-[2-(dimethylamino)ethyl]-4-methyl-2-N-propylpyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-2-N-[2-(dimethylamino)ethyl]-4-methyl-2-N-propylpyridine-2,5-diamine?
The canonical SMILES for 3-bromo-2-N-[2-(dimethylamino)ethyl]-4-methyl-2-N-propylpyridine-2,5-diamine is CCCN(CCN(C)C)c1ncc(N)c(C)c1Br.
What is the InChIKey of 3-bromo-2-N-[2-(dimethylamino)ethyl]-4-methyl-2-N-propylpyridine-2,5-diamine?
The InChIKey is QJPCXNPIAORLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23BrN4/c1-5-6-18(8-7-17(3)4)13-12(14)10(2)11(15)9-16-13/h9H,5-8,15H2,1-4H3.
What are the key properties of 3-bromo-2-N-[2-(dimethylamino)ethyl]-4-methyl-2-N-propylpyridine-2,5-diamine?
3-bromo-2-N-[2-(dimethylamino)ethyl]-4-methyl-2-N-propylpyridine-2,5-diamine has a molecular weight of 315.26 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-N-[2-(dimethylamino)ethyl]-4-methyl-2-N-propylpyridine-2,5-diamine is sourced from PubChem (CID 104506702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).