4-ethoxy-1-[(2R)-2-hydroxypropyl]pyrimidin-2-one

C9H14N2O3 — CID 139891489

IUPAC4-ethoxy-1-[(2R)-2-hydroxypropyl]pyrimidin-2-one
SMILESCCOc1ccn(C[C@@H](C)O)c(=O)n1
InChIInChI=1S/C9H14N2O3/c1-3-14-8-4-5-11(6-7(2)12)9(13)10-8/h4-5,7,12H,3,6H2,1-2H3/t7-/m1/s1
InChIKeyMTNIXSPICGZFCA-SSDOTTSWSA-N
MW198.22 g/mol
LogP0.02
Rot. Bonds4

About 4-ethoxy-1-[(2R)-2-hydroxypropyl]pyrimidin-2-one

4-ethoxy-1-[(2R)-2-hydroxypropyl]pyrimidin-2-one (PubChem CID 139891489) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 4-ethoxy-1-[(2R)-2-hydroxypropyl]pyrimidin-2-one.

Molecular Properties

Compound Name4-ethoxy-1-[(2R)-2-hydroxypropyl]pyrimidin-2-one
PubChem CID139891489
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name4-ethoxy-1-[(2R)-2-hydroxypropyl]pyrimidin-2-one
SMILESCCOc1ccn(C[C@@H](C)O)c(=O)n1
InChIInChI=1S/C9H14N2O3/c1-3-14-8-4-5-11(6-7(2)12)9(13)10-8/h4-5,7,12H,3,6H2,1-2H3/t7-/m1/s1
InChIKeyMTNIXSPICGZFCA-SSDOTTSWSA-N
XLogP0.02
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-ethoxy-1-[(2R)-2-hydroxypropyl]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 4-ethoxy-1-[(2R)-2-hydroxypropyl]pyrimidin-2-one?
The IUPAC name of 4-ethoxy-1-[(2R)-2-hydroxypropyl]pyrimidin-2-one (CID 139891489) is 4-ethoxy-1-[(2R)-2-hydroxypropyl]pyrimidin-2-one.
What is the SMILES notation for 4-ethoxy-1-[(2R)-2-hydroxypropyl]pyrimidin-2-one?
The canonical SMILES for 4-ethoxy-1-[(2R)-2-hydroxypropyl]pyrimidin-2-one is CCOc1ccn(C[C@@H](C)O)c(=O)n1.
What is the InChIKey of 4-ethoxy-1-[(2R)-2-hydroxypropyl]pyrimidin-2-one?
The InChIKey is MTNIXSPICGZFCA-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-3-14-8-4-5-11(6-7(2)12)9(13)10-8/h4-5,7,12H,3,6H2,1-2H3/t7-/m1/s1.
What are the key properties of 4-ethoxy-1-[(2R)-2-hydroxypropyl]pyrimidin-2-one?
4-ethoxy-1-[(2R)-2-hydroxypropyl]pyrimidin-2-one has a molecular weight of 198.22 g/mol, XLogP of 0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-[(2R)-2-hydroxypropyl]pyrimidin-2-one is sourced from PubChem (CID 139891489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).