2-(4-propylmorpholin-2-yl)-1H-pyrimidin-6-one

C11H17N3O2 — CID 79669293

IUPAC2-(4-propylmorpholin-2-yl)-1H-pyrimidin-6-one
SMILESCCCN1CCOC(c2nccc(=O)[nH]2)C1
InChIInChI=1S/C11H17N3O2/c1-2-5-14-6-7-16-9(8-14)11-12-4-3-10(15)13-11/h3-4,9H,2,5-8H2,1H3,(H,12,13,15)
InChIKeyNVDDHPVMXUKCDG-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.55
Rot. Bonds3

About 2-(4-propylmorpholin-2-yl)-1H-pyrimidin-6-one

2-(4-propylmorpholin-2-yl)-1H-pyrimidin-6-one (PubChem CID 79669293) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-(4-propylmorpholin-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-propylmorpholin-2-yl)-1H-pyrimidin-6-one
PubChem CID79669293
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-(4-propylmorpholin-2-yl)-1H-pyrimidin-6-one
SMILESCCCN1CCOC(c2nccc(=O)[nH]2)C1
InChIInChI=1S/C11H17N3O2/c1-2-5-14-6-7-16-9(8-14)11-12-4-3-10(15)13-11/h3-4,9H,2,5-8H2,1H3,(H,12,13,15)
InChIKeyNVDDHPVMXUKCDG-UHFFFAOYSA-N
XLogP0.55
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-propylmorpholin-2-yl)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-propylmorpholin-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-propylmorpholin-2-yl)-1H-pyrimidin-6-one (CID 79669293) is 2-(4-propylmorpholin-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-propylmorpholin-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-propylmorpholin-2-yl)-1H-pyrimidin-6-one is CCCN1CCOC(c2nccc(=O)[nH]2)C1.
What is the InChIKey of 2-(4-propylmorpholin-2-yl)-1H-pyrimidin-6-one?
The InChIKey is NVDDHPVMXUKCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-2-5-14-6-7-16-9(8-14)11-12-4-3-10(15)13-11/h3-4,9H,2,5-8H2,1H3,(H,12,13,15).
What are the key properties of 2-(4-propylmorpholin-2-yl)-1H-pyrimidin-6-one?
2-(4-propylmorpholin-2-yl)-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propylmorpholin-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 79669293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).