4-methyl-2-(3-piperidin-4-ylpropoxy)pyrimidine

C13H21N3O — CID 71639258

IUPAC4-methyl-2-(3-piperidin-4-ylpropoxy)pyrimidine
SMILESCc1ccnc(OCCCC2CCNCC2)n1
InChIInChI=1S/C13H21N3O/c1-11-4-9-15-13(16-11)17-10-2-3-12-5-7-14-8-6-12/h4,9,12,14H,2-3,5-8,10H2,1H3
InChIKeyXGCPWNBPSNKLGX-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.94
Rot. Bonds5

About 4-methyl-2-(3-piperidin-4-ylpropoxy)pyrimidine

4-methyl-2-(3-piperidin-4-ylpropoxy)pyrimidine (PubChem CID 71639258) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-methyl-2-(3-piperidin-4-ylpropoxy)pyrimidine.

Molecular Properties

Compound Name4-methyl-2-(3-piperidin-4-ylpropoxy)pyrimidine
PubChem CID71639258
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name4-methyl-2-(3-piperidin-4-ylpropoxy)pyrimidine
SMILESCc1ccnc(OCCCC2CCNCC2)n1
InChIInChI=1S/C13H21N3O/c1-11-4-9-15-13(16-11)17-10-2-3-12-5-7-14-8-6-12/h4,9,12,14H,2-3,5-8,10H2,1H3
InChIKeyXGCPWNBPSNKLGX-UHFFFAOYSA-N
XLogP1.94
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methyl-2-(3-piperidin-4-ylpropoxy)pyrimidine?
The IUPAC name of 4-methyl-2-(3-piperidin-4-ylpropoxy)pyrimidine (CID 71639258) is 4-methyl-2-(3-piperidin-4-ylpropoxy)pyrimidine.
What is the SMILES notation for 4-methyl-2-(3-piperidin-4-ylpropoxy)pyrimidine?
The canonical SMILES for 4-methyl-2-(3-piperidin-4-ylpropoxy)pyrimidine is Cc1ccnc(OCCCC2CCNCC2)n1.
What is the InChIKey of 4-methyl-2-(3-piperidin-4-ylpropoxy)pyrimidine?
The InChIKey is XGCPWNBPSNKLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-11-4-9-15-13(16-11)17-10-2-3-12-5-7-14-8-6-12/h4,9,12,14H,2-3,5-8,10H2,1H3.
What are the key properties of 4-methyl-2-(3-piperidin-4-ylpropoxy)pyrimidine?
4-methyl-2-(3-piperidin-4-ylpropoxy)pyrimidine has a molecular weight of 235.33 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-piperidin-4-ylpropoxy)pyrimidine is sourced from PubChem (CID 71639258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).