4-phenylmethoxypyridine-2,3,6-triamine;dihydrochloride

C12H16Cl2N4O — CID 131854935

IUPAC4-phenylmethoxypyridine-2,3,6-triamine;dihydrochloride
SMILESCl.Cl.Nc1cc(OCc2ccccc2)c(N)c(N)n1
InChIInChI=1S/C12H14N4O.2ClH/c13-10-6-9(11(14)12(15)16-10)17-7-8-4-2-1-3-5-8;;/h1-6H,7,14H2,(H4,13,15,16);2*1H
InChIKeyLWMQMRUDKUYVMM-UHFFFAOYSA-N
MW303.19 g/mol
LogP2.25
Rot. Bonds3

About 4-phenylmethoxypyridine-2,3,6-triamine;dihydrochloride

4-phenylmethoxypyridine-2,3,6-triamine;dihydrochloride (PubChem CID 131854935) has the molecular formula C12H16Cl2N4O and a molecular weight of 303.19 g/mol. Its IUPAC name is 4-phenylmethoxypyridine-2,3,6-triamine;dihydrochloride.

Molecular Properties

Compound Name4-phenylmethoxypyridine-2,3,6-triamine;dihydrochloride
PubChem CID131854935
Molecular FormulaC12H16Cl2N4O
Molecular Weight303.19 g/mol
Exact Mass302.07
IUPAC Name4-phenylmethoxypyridine-2,3,6-triamine;dihydrochloride
SMILESCl.Cl.Nc1cc(OCc2ccccc2)c(N)c(N)n1
InChIInChI=1S/C12H14N4O.2ClH/c13-10-6-9(11(14)12(15)16-10)17-7-8-4-2-1-3-5-8;;/h1-6H,7,14H2,(H4,13,15,16);2*1H
InChIKeyLWMQMRUDKUYVMM-UHFFFAOYSA-N
XLogP2.25
TPSA100.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-phenylmethoxypyridine-2,3,6-triamine;dihydrochloride?
The IUPAC name of 4-phenylmethoxypyridine-2,3,6-triamine;dihydrochloride (CID 131854935) is 4-phenylmethoxypyridine-2,3,6-triamine;dihydrochloride.
What is the SMILES notation for 4-phenylmethoxypyridine-2,3,6-triamine;dihydrochloride?
The canonical SMILES for 4-phenylmethoxypyridine-2,3,6-triamine;dihydrochloride is Cl.Cl.Nc1cc(OCc2ccccc2)c(N)c(N)n1.
What is the InChIKey of 4-phenylmethoxypyridine-2,3,6-triamine;dihydrochloride?
The InChIKey is LWMQMRUDKUYVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O.2ClH/c13-10-6-9(11(14)12(15)16-10)17-7-8-4-2-1-3-5-8;;/h1-6H,7,14H2,(H4,13,15,16);2*1H.
What are the key properties of 4-phenylmethoxypyridine-2,3,6-triamine;dihydrochloride?
4-phenylmethoxypyridine-2,3,6-triamine;dihydrochloride has a molecular weight of 303.19 g/mol, XLogP of 2.25, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylmethoxypyridine-2,3,6-triamine;dihydrochloride is sourced from PubChem (CID 131854935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).