3-bromo-2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)pyridine-2,5-diamine

C12H20BrN3O2 — CID 79535258

IUPAC3-bromo-2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)pyridine-2,5-diamine
SMILESCOCCN(c1ncc(N)cc1Br)C(C)COC
InChIInChI=1S/C12H20BrN3O2/c1-9(8-18-3)16(4-5-17-2)12-11(13)6-10(14)7-15-12/h6-7,9H,4-5,8,14H2,1-3H3
InChIKeyZSLKEKFLYNLKIR-UHFFFAOYSA-N
MW318.22 g/mol
LogP1.91
Rot. Bonds7

About 3-bromo-2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)pyridine-2,5-diamine

3-bromo-2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)pyridine-2,5-diamine (PubChem CID 79535258) has the molecular formula C12H20BrN3O2 and a molecular weight of 318.22 g/mol. Its IUPAC name is 3-bromo-2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)pyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)pyridine-2,5-diamine
PubChem CID79535258
Molecular FormulaC12H20BrN3O2
Molecular Weight318.22 g/mol
Exact Mass317.07
IUPAC Name3-bromo-2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)pyridine-2,5-diamine
SMILESCOCCN(c1ncc(N)cc1Br)C(C)COC
InChIInChI=1S/C12H20BrN3O2/c1-9(8-18-3)16(4-5-17-2)12-11(13)6-10(14)7-15-12/h6-7,9H,4-5,8,14H2,1-3H3
InChIKeyZSLKEKFLYNLKIR-UHFFFAOYSA-N
XLogP1.91
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.22
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-6-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyridine-3-carbonitrile
CID 103468022
2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-4-methylpyridine-2,5-diamine
CID 79175638
3-bromo-2-N,2-N-bis(2-ethoxyethyl)pyridine-2,5-diamine
CID 82965351
5-amino-2-[ethyl(1-methoxypropan-2-yl)amino]pyridine-3-carbonitrile
CID 55010953
6-chloro-4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5-diamine
CID 63024124
3-bromo-2-N,2-N-bis(2-methylpropyl)pyridine-2,5-diamine
CID 79531788
N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-3-methyl-5-(methylaminomethyl)pyridin-2-amine
CID 80629569
5-amino-2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carboxamide
CID 82948360
3-bromo-2-N-methoxy-2-N-methylpyridine-2,5-diamine
CID 79532538
6-methoxy-2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)pyridine-2,3-diamine
CID 115320609
4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103326506
5-chloro-2-N-(2-methoxyethyl)-2-N-propan-2-ylpyridine-2,3-diamine
CID 82949133

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)pyridine-2,5-diamine?
The IUPAC name of 3-bromo-2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)pyridine-2,5-diamine (CID 79535258) is 3-bromo-2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)pyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)pyridine-2,5-diamine?
The canonical SMILES for 3-bromo-2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)pyridine-2,5-diamine is COCCN(c1ncc(N)cc1Br)C(C)COC.
What is the InChIKey of 3-bromo-2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)pyridine-2,5-diamine?
The InChIKey is ZSLKEKFLYNLKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3O2/c1-9(8-18-3)16(4-5-17-2)12-11(13)6-10(14)7-15-12/h6-7,9H,4-5,8,14H2,1-3H3.
What are the key properties of 3-bromo-2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)pyridine-2,5-diamine?
3-bromo-2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)pyridine-2,5-diamine has a molecular weight of 318.22 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)pyridine-2,5-diamine is sourced from PubChem (CID 79535258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).