2-(4-ethylmorpholin-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one

C13H21N3O3 — CID 79666828

IUPAC2-(4-ethylmorpholin-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(C2CN(CC)CCO2)[nH]c1=O
InChIInChI=1S/C13H21N3O3/c1-3-5-9-12(17)14-11(15-13(9)18)10-8-16(4-2)6-7-19-10/h10H,3-8H2,1-2H3,(H2,14,15,17,18)
InChIKeyIRBTVQDVXXLETN-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.82
Rot. Bonds4

About 2-(4-ethylmorpholin-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one

2-(4-ethylmorpholin-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one (PubChem CID 79666828) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(4-ethylmorpholin-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-ethylmorpholin-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
PubChem CID79666828
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-(4-ethylmorpholin-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(C2CN(CC)CCO2)[nH]c1=O
InChIInChI=1S/C13H21N3O3/c1-3-5-9-12(17)14-11(15-13(9)18)10-8-16(4-2)6-7-19-10/h10H,3-8H2,1-2H3,(H2,14,15,17,18)
InChIKeyIRBTVQDVXXLETN-UHFFFAOYSA-N
XLogP0.82
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4-ethylmorpholin-2-yl)-4-hydroxy-5-propyl-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-ethylmorpholin-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-ethylmorpholin-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one (CID 79666828) is 2-(4-ethylmorpholin-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-ethylmorpholin-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-ethylmorpholin-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one is CCCc1c(O)nc(C2CN(CC)CCO2)[nH]c1=O.
What is the InChIKey of 2-(4-ethylmorpholin-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The InChIKey is IRBTVQDVXXLETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-3-5-9-12(17)14-11(15-13(9)18)10-8-16(4-2)6-7-19-10/h10H,3-8H2,1-2H3,(H2,14,15,17,18).
What are the key properties of 2-(4-ethylmorpholin-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
2-(4-ethylmorpholin-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one has a molecular weight of 267.33 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylmorpholin-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 79666828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).