1-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea

C16H19N5O3 — CID 23607564

IUPAC1-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
SMILESO=C(NCCCN1CCCC1=O)Nc1cnc2ccccn2c1=O
InChIInChI=1S/C16H19N5O3/c22-14-6-3-8-20(14)9-4-7-17-16(24)19-12-11-18-13-5-1-2-10-21(13)15(12)23/h1-2,5,10-11H,3-4,6-9H2,(H2,17,19,24)
InChIKeyRAQLFQDUYIMILB-UHFFFAOYSA-N
MW329.36 g/mol
LogP0.83
Rot. Bonds5

About 1-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea

1-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea (PubChem CID 23607564) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 1-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea.

Molecular Properties

Compound Name1-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
PubChem CID23607564
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name1-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
SMILESO=C(NCCCN1CCCC1=O)Nc1cnc2ccccn2c1=O
InChIInChI=1S/C16H19N5O3/c22-14-6-3-8-20(14)9-4-7-17-16(24)19-12-11-18-13-5-1-2-10-21(13)15(12)23/h1-2,5,10-11H,3-4,6-9H2,(H2,17,19,24)
InChIKeyRAQLFQDUYIMILB-UHFFFAOYSA-N
XLogP0.83
TPSA95.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 50.83
H-Bond Donors ≤ 52
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 1-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea?
The IUPAC name of 1-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea (CID 23607564) is 1-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea.
What is the SMILES notation for 1-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea?
The canonical SMILES for 1-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea is O=C(NCCCN1CCCC1=O)Nc1cnc2ccccn2c1=O.
What is the InChIKey of 1-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea?
The InChIKey is RAQLFQDUYIMILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c22-14-6-3-8-20(14)9-4-7-17-16(24)19-12-11-18-13-5-1-2-10-21(13)15(12)23/h1-2,5,10-11H,3-4,6-9H2,(H2,17,19,24).
What are the key properties of 1-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea?
1-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea has a molecular weight of 329.36 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea is sourced from PubChem (CID 23607564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).