4-methoxy-2-phenyl-6-(3-piperidin-1-ylpropoxy)pyrimidine

C19H25N3O2 — CID 118723339

IUPAC4-methoxy-2-phenyl-6-(3-piperidin-1-ylpropoxy)pyrimidine
SMILESCOc1cc(OCCCN2CCCCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C19H25N3O2/c1-23-17-15-18(21-19(20-17)16-9-4-2-5-10-16)24-14-8-13-22-11-6-3-7-12-22/h2,4-5,9-10,15H,3,6-8,11-14H2,1H3
InChIKeyKYXZRVDXEVCFGA-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.41
Rot. Bonds7

About 4-methoxy-2-phenyl-6-(3-piperidin-1-ylpropoxy)pyrimidine

4-methoxy-2-phenyl-6-(3-piperidin-1-ylpropoxy)pyrimidine (PubChem CID 118723339) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 4-methoxy-2-phenyl-6-(3-piperidin-1-ylpropoxy)pyrimidine.

Molecular Properties

Compound Name4-methoxy-2-phenyl-6-(3-piperidin-1-ylpropoxy)pyrimidine
PubChem CID118723339
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name4-methoxy-2-phenyl-6-(3-piperidin-1-ylpropoxy)pyrimidine
SMILESCOc1cc(OCCCN2CCCCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C19H25N3O2/c1-23-17-15-18(21-19(20-17)16-9-4-2-5-10-16)24-14-8-13-22-11-6-3-7-12-22/h2,4-5,9-10,15H,3,6-8,11-14H2,1H3
InChIKeyKYXZRVDXEVCFGA-UHFFFAOYSA-N
XLogP3.41
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 4-methoxy-2-phenyl-6-(3-piperidin-1-ylpropoxy)pyrimidine?
The IUPAC name of 4-methoxy-2-phenyl-6-(3-piperidin-1-ylpropoxy)pyrimidine (CID 118723339) is 4-methoxy-2-phenyl-6-(3-piperidin-1-ylpropoxy)pyrimidine.
What is the SMILES notation for 4-methoxy-2-phenyl-6-(3-piperidin-1-ylpropoxy)pyrimidine?
The canonical SMILES for 4-methoxy-2-phenyl-6-(3-piperidin-1-ylpropoxy)pyrimidine is COc1cc(OCCCN2CCCCC2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-methoxy-2-phenyl-6-(3-piperidin-1-ylpropoxy)pyrimidine?
The InChIKey is KYXZRVDXEVCFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-23-17-15-18(21-19(20-17)16-9-4-2-5-10-16)24-14-8-13-22-11-6-3-7-12-22/h2,4-5,9-10,15H,3,6-8,11-14H2,1H3.
What are the key properties of 4-methoxy-2-phenyl-6-(3-piperidin-1-ylpropoxy)pyrimidine?
4-methoxy-2-phenyl-6-(3-piperidin-1-ylpropoxy)pyrimidine has a molecular weight of 327.43 g/mol, XLogP of 3.41, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-phenyl-6-(3-piperidin-1-ylpropoxy)pyrimidine is sourced from PubChem (CID 118723339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).