5-methyl-1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidine-2,4-dione

C20H27N3O3 — CID 118713501

IUPAC5-methyl-1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidine-2,4-dione
SMILESCc1cn(Cc2ccc(OCCCN3CCCCC3)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C20H27N3O3/c1-16-14-23(20(25)21-19(16)24)15-17-6-8-18(9-7-17)26-13-5-12-22-10-3-2-4-11-22/h6-9,14H,2-5,10-13,15H2,1H3,(H,21,24,25)
InChIKeyPYNLPDJLNJNKCJ-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.15
Rot. Bonds7

About 5-methyl-1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidine-2,4-dione

5-methyl-1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidine-2,4-dione (PubChem CID 118713501) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 5-methyl-1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidine-2,4-dione
PubChem CID118713501
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name5-methyl-1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidine-2,4-dione
SMILESCc1cn(Cc2ccc(OCCCN3CCCCC3)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C20H27N3O3/c1-16-14-23(20(25)21-19(16)24)15-17-6-8-18(9-7-17)26-13-5-12-22-10-3-2-4-11-22/h6-9,14H,2-5,10-13,15H2,1H3,(H,21,24,25)
InChIKeyPYNLPDJLNJNKCJ-UHFFFAOYSA-N
XLogP2.15
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.15
H-Bond Donors ≤ 51
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 5-methyl-1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidine-2,4-dione (CID 118713501) is 5-methyl-1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidine-2,4-dione is Cc1cn(Cc2ccc(OCCCN3CCCCC3)cc2)c(=O)[nH]c1=O.
What is the InChIKey of 5-methyl-1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidine-2,4-dione?
The InChIKey is PYNLPDJLNJNKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-16-14-23(20(25)21-19(16)24)15-17-6-8-18(9-7-17)26-13-5-12-22-10-3-2-4-11-22/h6-9,14H,2-5,10-13,15H2,1H3,(H,21,24,25).
What are the key properties of 5-methyl-1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidine-2,4-dione?
5-methyl-1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidine-2,4-dione has a molecular weight of 357.45 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 118713501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).