6-dimethylphosphanyl-4-methoxypyridin-3-amine

C8H13N2OP — CID 171574048

IUPAC6-dimethylphosphanyl-4-methoxypyridin-3-amine
SMILESCOc1cc(P(C)C)ncc1N
InChIInChI=1S/C8H13N2OP/c1-11-7-4-8(12(2)3)10-5-6(7)9/h4-5H,9H2,1-3H3
InChIKeyCTWYVEMVVQTOHX-UHFFFAOYSA-N
MW184.18 g/mol
LogP1.04
Rot. Bonds2

About 6-dimethylphosphanyl-4-methoxypyridin-3-amine

6-dimethylphosphanyl-4-methoxypyridin-3-amine (PubChem CID 171574048) has the molecular formula C8H13N2OP and a molecular weight of 184.18 g/mol. Its IUPAC name is 6-dimethylphosphanyl-4-methoxypyridin-3-amine.

Molecular Properties

Compound Name6-dimethylphosphanyl-4-methoxypyridin-3-amine
PubChem CID171574048
Molecular FormulaC8H13N2OP
Molecular Weight184.18 g/mol
Exact Mass184.08
IUPAC Name6-dimethylphosphanyl-4-methoxypyridin-3-amine
SMILESCOc1cc(P(C)C)ncc1N
InChIInChI=1S/C8H13N2OP/c1-11-7-4-8(12(2)3)10-5-6(7)9/h4-5H,9H2,1-3H3
InChIKeyCTWYVEMVVQTOHX-UHFFFAOYSA-N
XLogP1.04
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.18
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-dimethylphosphanyl-4-methoxypyridin-3-amine?
The IUPAC name of 6-dimethylphosphanyl-4-methoxypyridin-3-amine (CID 171574048) is 6-dimethylphosphanyl-4-methoxypyridin-3-amine.
What is the SMILES notation for 6-dimethylphosphanyl-4-methoxypyridin-3-amine?
The canonical SMILES for 6-dimethylphosphanyl-4-methoxypyridin-3-amine is COc1cc(P(C)C)ncc1N.
What is the InChIKey of 6-dimethylphosphanyl-4-methoxypyridin-3-amine?
The InChIKey is CTWYVEMVVQTOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N2OP/c1-11-7-4-8(12(2)3)10-5-6(7)9/h4-5H,9H2,1-3H3.
What are the key properties of 6-dimethylphosphanyl-4-methoxypyridin-3-amine?
6-dimethylphosphanyl-4-methoxypyridin-3-amine has a molecular weight of 184.18 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-dimethylphosphanyl-4-methoxypyridin-3-amine is sourced from PubChem (CID 171574048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).