3-bromo-2-N-(1-methoxy-3-methylbutan-2-yl)-4-methylpyridine-2,5-diamine

C12H20BrN3O — CID 104506932

IUPAC3-bromo-2-N-(1-methoxy-3-methylbutan-2-yl)-4-methylpyridine-2,5-diamine
SMILESCOCC(Nc1ncc(N)c(C)c1Br)C(C)C
InChIInChI=1S/C12H20BrN3O/c1-7(2)10(6-17-4)16-12-11(13)8(3)9(14)5-15-12/h5,7,10H,6,14H2,1-4H3,(H,15,16)
InChIKeyZCBIMYMTVUFJKZ-UHFFFAOYSA-N
MW302.22 g/mol
LogP2.82
Rot. Bonds5

About 3-bromo-2-N-(1-methoxy-3-methylbutan-2-yl)-4-methylpyridine-2,5-diamine

3-bromo-2-N-(1-methoxy-3-methylbutan-2-yl)-4-methylpyridine-2,5-diamine (PubChem CID 104506932) has the molecular formula C12H20BrN3O and a molecular weight of 302.22 g/mol. Its IUPAC name is 3-bromo-2-N-(1-methoxy-3-methylbutan-2-yl)-4-methylpyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-2-N-(1-methoxy-3-methylbutan-2-yl)-4-methylpyridine-2,5-diamine
PubChem CID104506932
Molecular FormulaC12H20BrN3O
Molecular Weight302.22 g/mol
Exact Mass301.08
IUPAC Name3-bromo-2-N-(1-methoxy-3-methylbutan-2-yl)-4-methylpyridine-2,5-diamine
SMILESCOCC(Nc1ncc(N)c(C)c1Br)C(C)C
InChIInChI=1S/C12H20BrN3O/c1-7(2)10(6-17-4)16-12-11(13)8(3)9(14)5-15-12/h5,7,10H,6,14H2,1-4H3,(H,15,16)
InChIKeyZCBIMYMTVUFJKZ-UHFFFAOYSA-N
XLogP2.82
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.22
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-N-(1-methoxy-3-methylbutan-2-yl)pyridine-2,3-diamine
CID 65047155
3-bromo-2-N-(3-methoxy-2-methylpropyl)-4-methylpyridine-2,5-diamine
CID 104506698
5-bromo-N-(1-methoxy-3-methylbutan-2-yl)-3-methylpyridin-2-amine
CID 79718710
1-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-3-methoxypropan-2-ol
CID 104506894
4-N-(1-methoxy-3-methylbutan-2-yl)pyrimidine-4,5-diamine
CID 79918826
3-bromo-4-methyl-2-N-(6-methylheptan-2-yl)pyridine-2,5-diamine
CID 104506559
5-amino-2-[(1-methoxy-3-methylbutan-2-yl)amino]pyridine-3-carboxamide
CID 65049915
3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-4,4-dimethylpentan-1-ol
CID 114176742
5-bromo-N-(1-methoxy-3-methylbutan-2-yl)pyrimidin-2-amine
CID 65048689
4-N-(1-methoxy-3-methylbutan-2-yl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80841632
3-bromo-2-N-ethyl-4-methylpyridine-2,5-diamine
CID 104506234
6-methoxy-N-(1-methoxy-3-methylbutan-2-yl)-5-methylpyrimidin-4-amine
CID 66326464

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-N-(1-methoxy-3-methylbutan-2-yl)-4-methylpyridine-2,5-diamine?
The IUPAC name of 3-bromo-2-N-(1-methoxy-3-methylbutan-2-yl)-4-methylpyridine-2,5-diamine (CID 104506932) is 3-bromo-2-N-(1-methoxy-3-methylbutan-2-yl)-4-methylpyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-2-N-(1-methoxy-3-methylbutan-2-yl)-4-methylpyridine-2,5-diamine?
The canonical SMILES for 3-bromo-2-N-(1-methoxy-3-methylbutan-2-yl)-4-methylpyridine-2,5-diamine is COCC(Nc1ncc(N)c(C)c1Br)C(C)C.
What is the InChIKey of 3-bromo-2-N-(1-methoxy-3-methylbutan-2-yl)-4-methylpyridine-2,5-diamine?
The InChIKey is ZCBIMYMTVUFJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3O/c1-7(2)10(6-17-4)16-12-11(13)8(3)9(14)5-15-12/h5,7,10H,6,14H2,1-4H3,(H,15,16).
What are the key properties of 3-bromo-2-N-(1-methoxy-3-methylbutan-2-yl)-4-methylpyridine-2,5-diamine?
3-bromo-2-N-(1-methoxy-3-methylbutan-2-yl)-4-methylpyridine-2,5-diamine has a molecular weight of 302.22 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-N-(1-methoxy-3-methylbutan-2-yl)-4-methylpyridine-2,5-diamine is sourced from PubChem (CID 104506932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).