5-methyl-1-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione

C16H19N5O3 — CID 45280815

IUPAC5-methyl-1-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione
SMILESCc1cn(CC(=O)N2CCN(c3ccccn3)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C16H19N5O3/c1-12-10-21(16(24)18-15(12)23)11-14(22)20-8-6-19(7-9-20)13-4-2-3-5-17-13/h2-5,10H,6-9,11H2,1H3,(H,18,23,24)
InChIKeyFPHBTGFVXRLGTP-UHFFFAOYSA-N
MW329.36 g/mol
LogP-0.41
Rot. Bonds3

About 5-methyl-1-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione

5-methyl-1-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione (PubChem CID 45280815) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 5-methyl-1-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione
PubChem CID45280815
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name5-methyl-1-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione
SMILESCc1cn(CC(=O)N2CCN(c3ccccn3)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C16H19N5O3/c1-12-10-21(16(24)18-15(12)23)11-14(22)20-8-6-19(7-9-20)13-4-2-3-5-17-13/h2-5,10H,6-9,11H2,1H3,(H,18,23,24)
InChIKeyFPHBTGFVXRLGTP-UHFFFAOYSA-N
XLogP-0.41
TPSA91.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-1-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione (CID 45280815) is 5-methyl-1-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-1-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-1-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione is Cc1cn(CC(=O)N2CCN(c3ccccn3)CC2)c(=O)[nH]c1=O.
What is the InChIKey of 5-methyl-1-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione?
The InChIKey is FPHBTGFVXRLGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-12-10-21(16(24)18-15(12)23)11-14(22)20-8-6-19(7-9-20)13-4-2-3-5-17-13/h2-5,10H,6-9,11H2,1H3,(H,18,23,24).
What are the key properties of 5-methyl-1-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione?
5-methyl-1-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione has a molecular weight of 329.36 g/mol, XLogP of -0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 45280815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).