4-methyl-2-[3-(1-methylpiperidin-4-yl)propoxy]pyrimidine

C14H23N3O — CID 20773443

IUPAC4-methyl-2-[3-(1-methylpiperidin-4-yl)propoxy]pyrimidine
SMILESCc1ccnc(OCCCC2CCN(C)CC2)n1
InChIInChI=1S/C14H23N3O/c1-12-5-8-15-14(16-12)18-11-3-4-13-6-9-17(2)10-7-13/h5,8,13H,3-4,6-7,9-11H2,1-2H3
InChIKeyHUGCZKBJOSAJMF-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.29
Rot. Bonds5

About 4-methyl-2-[3-(1-methylpiperidin-4-yl)propoxy]pyrimidine

4-methyl-2-[3-(1-methylpiperidin-4-yl)propoxy]pyrimidine (PubChem CID 20773443) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-methyl-2-[3-(1-methylpiperidin-4-yl)propoxy]pyrimidine.

Molecular Properties

Compound Name4-methyl-2-[3-(1-methylpiperidin-4-yl)propoxy]pyrimidine
PubChem CID20773443
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-methyl-2-[3-(1-methylpiperidin-4-yl)propoxy]pyrimidine
SMILESCc1ccnc(OCCCC2CCN(C)CC2)n1
InChIInChI=1S/C14H23N3O/c1-12-5-8-15-14(16-12)18-11-3-4-13-6-9-17(2)10-7-13/h5,8,13H,3-4,6-7,9-11H2,1-2H3
InChIKeyHUGCZKBJOSAJMF-UHFFFAOYSA-N
XLogP2.29
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.29
H-Bond Donors ≤ 50
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-(1-methylpiperidin-4-yl)propoxy]pyrimidine?
The IUPAC name of 4-methyl-2-[3-(1-methylpiperidin-4-yl)propoxy]pyrimidine (CID 20773443) is 4-methyl-2-[3-(1-methylpiperidin-4-yl)propoxy]pyrimidine.
What is the SMILES notation for 4-methyl-2-[3-(1-methylpiperidin-4-yl)propoxy]pyrimidine?
The canonical SMILES for 4-methyl-2-[3-(1-methylpiperidin-4-yl)propoxy]pyrimidine is Cc1ccnc(OCCCC2CCN(C)CC2)n1.
What is the InChIKey of 4-methyl-2-[3-(1-methylpiperidin-4-yl)propoxy]pyrimidine?
The InChIKey is HUGCZKBJOSAJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-12-5-8-15-14(16-12)18-11-3-4-13-6-9-17(2)10-7-13/h5,8,13H,3-4,6-7,9-11H2,1-2H3.
What are the key properties of 4-methyl-2-[3-(1-methylpiperidin-4-yl)propoxy]pyrimidine?
4-methyl-2-[3-(1-methylpiperidin-4-yl)propoxy]pyrimidine has a molecular weight of 249.36 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[3-(1-methylpiperidin-4-yl)propoxy]pyrimidine is sourced from PubChem (CID 20773443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).