6-(2-methoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]-2-pyridin-4-ylpyrimidin-4-amine

C23H24N6O — CID 59824418

IUPAC6-(2-methoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]-2-pyridin-4-ylpyrimidin-4-amine
SMILESCOc1ccccc1-c1cc(NCCCn2cncc2C)nc(-c2ccncc2)n1
InChIInChI=1S/C23H24N6O/c1-17-15-25-16-29(17)13-5-10-26-22-14-20(19-6-3-4-7-21(19)30-2)27-23(28-22)18-8-11-24-12-9-18/h3-4,6-9,11-12,14-16H,5,10,13H2,1-2H3,(H,26,27,28)
InChIKeyYPGXAKDORHNMEY-UHFFFAOYSA-N
MW400.49 g/mol
LogP4.22
Rot. Bonds8

About 6-(2-methoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]-2-pyridin-4-ylpyrimidin-4-amine

6-(2-methoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]-2-pyridin-4-ylpyrimidin-4-amine (PubChem CID 59824418) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]-2-pyridin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-methoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]-2-pyridin-4-ylpyrimidin-4-amine
PubChem CID59824418
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC Name6-(2-methoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]-2-pyridin-4-ylpyrimidin-4-amine
SMILESCOc1ccccc1-c1cc(NCCCn2cncc2C)nc(-c2ccncc2)n1
InChIInChI=1S/C23H24N6O/c1-17-15-25-16-29(17)13-5-10-26-22-14-20(19-6-3-4-7-21(19)30-2)27-23(28-22)18-8-11-24-12-9-18/h3-4,6-9,11-12,14-16H,5,10,13H2,1-2H3,(H,26,27,28)
InChIKeyYPGXAKDORHNMEY-UHFFFAOYSA-N
XLogP4.22
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]-2-pyridin-4-ylpyrimidin-4-amine?
The IUPAC name of 6-(2-methoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]-2-pyridin-4-ylpyrimidin-4-amine (CID 59824418) is 6-(2-methoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]-2-pyridin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-methoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]-2-pyridin-4-ylpyrimidin-4-amine?
The canonical SMILES for 6-(2-methoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]-2-pyridin-4-ylpyrimidin-4-amine is COc1ccccc1-c1cc(NCCCn2cncc2C)nc(-c2ccncc2)n1.
What is the InChIKey of 6-(2-methoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]-2-pyridin-4-ylpyrimidin-4-amine?
The InChIKey is YPGXAKDORHNMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O/c1-17-15-25-16-29(17)13-5-10-26-22-14-20(19-6-3-4-7-21(19)30-2)27-23(28-22)18-8-11-24-12-9-18/h3-4,6-9,11-12,14-16H,5,10,13H2,1-2H3,(H,26,27,28).
What are the key properties of 6-(2-methoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]-2-pyridin-4-ylpyrimidin-4-amine?
6-(2-methoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]-2-pyridin-4-ylpyrimidin-4-amine has a molecular weight of 400.49 g/mol, XLogP of 4.22, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]-2-pyridin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 59824418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).