5-bromo-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)pyridine-2,3-diamine

C12H20BrN3O — CID 54986753

IUPAC5-bromo-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)pyridine-2,3-diamine
SMILESCOCCN(CC(C)C)c1ncc(Br)cc1N
InChIInChI=1S/C12H20BrN3O/c1-9(2)8-16(4-5-17-3)12-11(14)6-10(13)7-15-12/h6-7,9H,4-5,8,14H2,1-3H3
InChIKeyBWWVNZFYWWRYON-UHFFFAOYSA-N
MW302.22 g/mol
LogP2.54
Rot. Bonds6

About 5-bromo-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)pyridine-2,3-diamine

5-bromo-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)pyridine-2,3-diamine (PubChem CID 54986753) has the molecular formula C12H20BrN3O and a molecular weight of 302.22 g/mol. Its IUPAC name is 5-bromo-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name5-bromo-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)pyridine-2,3-diamine
PubChem CID54986753
Molecular FormulaC12H20BrN3O
Molecular Weight302.22 g/mol
Exact Mass301.08
IUPAC Name5-bromo-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)pyridine-2,3-diamine
SMILESCOCCN(CC(C)C)c1ncc(Br)cc1N
InChIInChI=1S/C12H20BrN3O/c1-9(2)8-16(4-5-17-3)12-11(14)6-10(13)7-15-12/h6-7,9H,4-5,8,14H2,1-3H3
InChIKeyBWWVNZFYWWRYON-UHFFFAOYSA-N
XLogP2.54
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.22
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-N-ethyl-2-N-(2-methoxyethyl)pyridine-2,3-diamine
CID 61444777
5-bromo-3-(chloromethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)pyridin-2-amine
CID 62000189
5-bromo-2-N,2-N-bis(3-methylbutyl)pyridine-2,3-diamine
CID 107869179
5-bromo-N-(2-methoxyethyl)-N-(2-methylpropyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62282182
5-bromo-2-N-(3-methoxypropyl)-2-N-methylpyridine-2,3-diamine
CID 59631539
5-bromo-2-N-ethyl-2-N-(2-methylbutyl)pyridine-2,3-diamine
CID 79478026
2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-1,3-thiazole-2,5-diamine
CID 102767997
4-N-(2-methoxyethyl)-2-methyl-4-N-(2-methylpropyl)benzene-1,4-diamine
CID 54987138
4-N-(2-methoxyethyl)-6-methyl-4-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103326280
4,5-dimethoxy-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)benzene-1,2-diamine
CID 83001129
3-bromo-2-N,2-N-bis(2-methylpropyl)pyridine-2,5-diamine
CID 79531788
N-(2-methoxyethyl)-3-methyl-N-(2-methylpropyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 80631433

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)pyridine-2,3-diamine?
The IUPAC name of 5-bromo-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)pyridine-2,3-diamine (CID 54986753) is 5-bromo-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)pyridine-2,3-diamine.
What is the SMILES notation for 5-bromo-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)pyridine-2,3-diamine?
The canonical SMILES for 5-bromo-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)pyridine-2,3-diamine is COCCN(CC(C)C)c1ncc(Br)cc1N.
What is the InChIKey of 5-bromo-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)pyridine-2,3-diamine?
The InChIKey is BWWVNZFYWWRYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3O/c1-9(2)8-16(4-5-17-3)12-11(14)6-10(13)7-15-12/h6-7,9H,4-5,8,14H2,1-3H3.
What are the key properties of 5-bromo-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)pyridine-2,3-diamine?
5-bromo-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)pyridine-2,3-diamine has a molecular weight of 302.22 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)pyridine-2,3-diamine is sourced from PubChem (CID 54986753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).