5-bromo-6-phenylmethoxypyridine-2,4-diamine

C12H12BrN3O — CID 25094363

IUPAC5-bromo-6-phenylmethoxypyridine-2,4-diamine
SMILESNc1cc(N)c(Br)c(OCc2ccccc2)n1
InChIInChI=1S/C12H12BrN3O/c13-11-9(14)6-10(15)16-12(11)17-7-8-4-2-1-3-5-8/h1-6H,7H2,(H4,14,15,16)
InChIKeyAQVTXJBTWKKESW-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.59
Rot. Bonds3

About 5-bromo-6-phenylmethoxypyridine-2,4-diamine

5-bromo-6-phenylmethoxypyridine-2,4-diamine (PubChem CID 25094363) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is 5-bromo-6-phenylmethoxypyridine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-6-phenylmethoxypyridine-2,4-diamine
PubChem CID25094363
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC Name5-bromo-6-phenylmethoxypyridine-2,4-diamine
SMILESNc1cc(N)c(Br)c(OCc2ccccc2)n1
InChIInChI=1S/C12H12BrN3O/c13-11-9(14)6-10(15)16-12(11)17-7-8-4-2-1-3-5-8/h1-6H,7H2,(H4,14,15,16)
InChIKeyAQVTXJBTWKKESW-UHFFFAOYSA-N
XLogP2.59
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-phenylmethoxypyridine-2,3,6-triamine;dihydrochloride
CID 131854935
5-bromo-3-fluoro-2-methoxy-6-phenylmethoxypyridine
CID 67127321
3-bromo-6-iodo-2-phenylmethoxypyridine
CID 90076323
7-bromo-1-phenylmethoxyisoquinoline
CID 86710700
3-iodo-2-phenylmethoxypyridin-4-amine
CID 127263634
5-amino-6-phenylmethoxypyridine-2-carboxamide
CID 114408377
2-bromo-5-chloro-3-phenylmethoxypyrazine
CID 121218855
6-phenylmethoxypyridine-2,3-diamine
CID 67311804
(3-amino-6-methyl-2-phenylmethoxy-4-pyridinyl)methanol
CID 139508361
2-[4-(aminomethyl)phenyl]-5-bromo-4-phenylmethoxy-1H-pyrimidin-6-one
CID 142947521
2-methoxy-6-phenylmethoxypyridin-3-amine
CID 43261924
6-methyl-3-nitro-2-phenylmethoxypyridin-4-amine
CID 140911567

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-phenylmethoxypyridine-2,4-diamine?
The IUPAC name of 5-bromo-6-phenylmethoxypyridine-2,4-diamine (CID 25094363) is 5-bromo-6-phenylmethoxypyridine-2,4-diamine.
What is the SMILES notation for 5-bromo-6-phenylmethoxypyridine-2,4-diamine?
The canonical SMILES for 5-bromo-6-phenylmethoxypyridine-2,4-diamine is Nc1cc(N)c(Br)c(OCc2ccccc2)n1.
What is the InChIKey of 5-bromo-6-phenylmethoxypyridine-2,4-diamine?
The InChIKey is AQVTXJBTWKKESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c13-11-9(14)6-10(15)16-12(11)17-7-8-4-2-1-3-5-8/h1-6H,7H2,(H4,14,15,16).
What are the key properties of 5-bromo-6-phenylmethoxypyridine-2,4-diamine?
5-bromo-6-phenylmethoxypyridine-2,4-diamine has a molecular weight of 294.15 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-phenylmethoxypyridine-2,4-diamine is sourced from PubChem (CID 25094363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).