(4S)-3-ethyl-4-(hydroxymethyl)-1-prop-2-enoxy-4H-pyrimidin-2-one

C10H16N2O3 — CID 129035063

IUPAC(4S)-3-ethyl-4-(hydroxymethyl)-1-prop-2-enoxy-4H-pyrimidin-2-one
SMILESC=CCON1C=C[C@@H](CO)N(CC)C1=O
InChIInChI=1S/C10H16N2O3/c1-3-7-15-12-6-5-9(8-13)11(4-2)10(12)14/h3,5-6,9,13H,1,4,7-8H2,2H3/t9-/m0/s1
InChIKeyIWRJURBIEDUTQC-VIFPVBQESA-N
MW212.25 g/mol
LogP0.74
Rot. Bonds5

About (4S)-3-ethyl-4-(hydroxymethyl)-1-prop-2-enoxy-4H-pyrimidin-2-one

(4S)-3-ethyl-4-(hydroxymethyl)-1-prop-2-enoxy-4H-pyrimidin-2-one (PubChem CID 129035063) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is (4S)-3-ethyl-4-(hydroxymethyl)-1-prop-2-enoxy-4H-pyrimidin-2-one.

Molecular Properties

Compound Name(4S)-3-ethyl-4-(hydroxymethyl)-1-prop-2-enoxy-4H-pyrimidin-2-one
PubChem CID129035063
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name(4S)-3-ethyl-4-(hydroxymethyl)-1-prop-2-enoxy-4H-pyrimidin-2-one
SMILESC=CCON1C=C[C@@H](CO)N(CC)C1=O
InChIInChI=1S/C10H16N2O3/c1-3-7-15-12-6-5-9(8-13)11(4-2)10(12)14/h3,5-6,9,13H,1,4,7-8H2,2H3/t9-/m0/s1
InChIKeyIWRJURBIEDUTQC-VIFPVBQESA-N
XLogP0.74
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (4S)-3-ethyl-4-(hydroxymethyl)-1-prop-2-enoxy-4H-pyrimidin-2-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 (4S)-3-ethyl-4-(hydroxymethyl)-1-prop-2-enoxy-4H-pyrimidin-2-one?
The IUPAC name of (4S)-3-ethyl-4-(hydroxymethyl)-1-prop-2-enoxy-4H-pyrimidin-2-one (CID 129035063) is (4S)-3-ethyl-4-(hydroxymethyl)-1-prop-2-enoxy-4H-pyrimidin-2-one.
What is the SMILES notation for (4S)-3-ethyl-4-(hydroxymethyl)-1-prop-2-enoxy-4H-pyrimidin-2-one?
The canonical SMILES for (4S)-3-ethyl-4-(hydroxymethyl)-1-prop-2-enoxy-4H-pyrimidin-2-one is C=CCON1C=C[C@@H](CO)N(CC)C1=O.
What is the InChIKey of (4S)-3-ethyl-4-(hydroxymethyl)-1-prop-2-enoxy-4H-pyrimidin-2-one?
The InChIKey is IWRJURBIEDUTQC-VIFPVBQESA-N. The full InChI is InChI=1S/C10H16N2O3/c1-3-7-15-12-6-5-9(8-13)11(4-2)10(12)14/h3,5-6,9,13H,1,4,7-8H2,2H3/t9-/m0/s1.
What are the key properties of (4S)-3-ethyl-4-(hydroxymethyl)-1-prop-2-enoxy-4H-pyrimidin-2-one?
(4S)-3-ethyl-4-(hydroxymethyl)-1-prop-2-enoxy-4H-pyrimidin-2-one has a molecular weight of 212.25 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-ethyl-4-(hydroxymethyl)-1-prop-2-enoxy-4H-pyrimidin-2-one is sourced from PubChem (CID 129035063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).