5-(2-hydroxyethyl)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-4-methyl-1H-pyrimidin-6-one

C13H18N4O3 — CID 136930684

IUPAC5-(2-hydroxyethyl)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-4-methyl-1H-pyrimidin-6-one
SMILESCOc1c(-c2nc(C)c(CCO)c(=O)[nH]2)c(C)nn1C
InChIInChI=1S/C13H18N4O3/c1-7-9(5-6-18)12(19)15-11(14-7)10-8(2)16-17(3)13(10)20-4/h18H,5-6H2,1-4H3,(H,14,15,19)
InChIKeyIJEFVOUAXLJJKG-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.33
Rot. Bonds4

About 5-(2-hydroxyethyl)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-4-methyl-1H-pyrimidin-6-one

5-(2-hydroxyethyl)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 136930684) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(2-hydroxyethyl)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-4-methyl-1H-pyrimidin-6-one
PubChem CID136930684
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name5-(2-hydroxyethyl)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-4-methyl-1H-pyrimidin-6-one
SMILESCOc1c(-c2nc(C)c(CCO)c(=O)[nH]2)c(C)nn1C
InChIInChI=1S/C13H18N4O3/c1-7-9(5-6-18)12(19)15-11(14-7)10-8(2)16-17(3)13(10)20-4/h18H,5-6H2,1-4H3,(H,14,15,19)
InChIKeyIJEFVOUAXLJJKG-UHFFFAOYSA-N
XLogP0.33
TPSA93.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(2-hydroxyethyl)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-4-methyl-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 5-(2-hydroxyethyl)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-(2-hydroxyethyl)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-4-methyl-1H-pyrimidin-6-one (CID 136930684) is 5-(2-hydroxyethyl)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(2-hydroxyethyl)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-(2-hydroxyethyl)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-4-methyl-1H-pyrimidin-6-one is COc1c(-c2nc(C)c(CCO)c(=O)[nH]2)c(C)nn1C.
What is the InChIKey of 5-(2-hydroxyethyl)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is IJEFVOUAXLJJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-7-9(5-6-18)12(19)15-11(14-7)10-8(2)16-17(3)13(10)20-4/h18H,5-6H2,1-4H3,(H,14,15,19).
What are the key properties of 5-(2-hydroxyethyl)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-4-methyl-1H-pyrimidin-6-one?
5-(2-hydroxyethyl)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 278.31 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethyl)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136930684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).