5-(hydroxymethyl)-2-(4-methoxyoxan-4-yl)-1H-pyrimidin-6-one

C11H16N2O4 — CID 114204919

IUPAC5-(hydroxymethyl)-2-(4-methoxyoxan-4-yl)-1H-pyrimidin-6-one
SMILESCOC1(c2ncc(CO)c(=O)[nH]2)CCOCC1
InChIInChI=1S/C11H16N2O4/c1-16-11(2-4-17-5-3-11)10-12-6-8(7-14)9(15)13-10/h6,14H,2-5,7H2,1H3,(H,12,13,15)
InChIKeyOOPWJNBLULLUIW-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.09
Rot. Bonds3

About 5-(hydroxymethyl)-2-(4-methoxyoxan-4-yl)-1H-pyrimidin-6-one

5-(hydroxymethyl)-2-(4-methoxyoxan-4-yl)-1H-pyrimidin-6-one (PubChem CID 114204919) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2-(4-methoxyoxan-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(hydroxymethyl)-2-(4-methoxyoxan-4-yl)-1H-pyrimidin-6-one
PubChem CID114204919
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name5-(hydroxymethyl)-2-(4-methoxyoxan-4-yl)-1H-pyrimidin-6-one
SMILESCOC1(c2ncc(CO)c(=O)[nH]2)CCOCC1
InChIInChI=1S/C11H16N2O4/c1-16-11(2-4-17-5-3-11)10-12-6-8(7-14)9(15)13-10/h6,14H,2-5,7H2,1H3,(H,12,13,15)
InChIKeyOOPWJNBLULLUIW-UHFFFAOYSA-N
XLogP-0.09
TPSA84.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(hydroxymethyl)-2-(4-methoxyoxan-4-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

Related Compounds

2-(4-methoxyoxan-4-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 113562748
5-(aminomethyl)-2-(4-methoxyoxan-4-yl)-1H-pyrimidin-6-one
CID 113563476
2-(4-ethoxyoxan-4-yl)-5-(hydroxymethyl)-1H-pyrimidin-6-one
CID 114204905
5-(hydroxymethyl)-2-(1-methoxy-4-methylcyclohexyl)-1H-pyrimidin-6-one
CID 114204913
2-(3-ethoxypentan-3-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 116775145
2-(4-ethoxyoxan-4-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 116775149
ethyl 2-(4-ethoxyoxan-4-yl)-6-oxo-1H-pyrimidine-5-carboxylate
CID 116775164
ethyl 2-(4-methoxyoxan-4-yl)-6-oxo-1H-pyrimidine-5-carboxylate
CID 116775167
5-(aminomethyl)-2-(4-ethoxyoxan-4-yl)-1H-pyrimidin-6-one
CID 116782621

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2-(4-methoxyoxan-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(hydroxymethyl)-2-(4-methoxyoxan-4-yl)-1H-pyrimidin-6-one (CID 114204919) is 5-(hydroxymethyl)-2-(4-methoxyoxan-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(hydroxymethyl)-2-(4-methoxyoxan-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(hydroxymethyl)-2-(4-methoxyoxan-4-yl)-1H-pyrimidin-6-one is COC1(c2ncc(CO)c(=O)[nH]2)CCOCC1.
What is the InChIKey of 5-(hydroxymethyl)-2-(4-methoxyoxan-4-yl)-1H-pyrimidin-6-one?
The InChIKey is OOPWJNBLULLUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-16-11(2-4-17-5-3-11)10-12-6-8(7-14)9(15)13-10/h6,14H,2-5,7H2,1H3,(H,12,13,15).
What are the key properties of 5-(hydroxymethyl)-2-(4-methoxyoxan-4-yl)-1H-pyrimidin-6-one?
5-(hydroxymethyl)-2-(4-methoxyoxan-4-yl)-1H-pyrimidin-6-one has a molecular weight of 240.26 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2-(4-methoxyoxan-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 114204919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).