1-ethyl-4-[(2-methoxypyrimidin-5-yl)methyl]piperazin-2-one

C12H18N4O2 — CID 131929658

IUPAC1-ethyl-4-[(2-methoxypyrimidin-5-yl)methyl]piperazin-2-one
SMILESCCN1CCN(Cc2cnc(OC)nc2)CC1=O
InChIInChI=1S/C12H18N4O2/c1-3-16-5-4-15(9-11(16)17)8-10-6-13-12(18-2)14-7-10/h6-7H,3-5,8-9H2,1-2H3
InChIKeyVCDXMIASGYMFAZ-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.15
Rot. Bonds4

About 1-ethyl-4-[(2-methoxypyrimidin-5-yl)methyl]piperazin-2-one

1-ethyl-4-[(2-methoxypyrimidin-5-yl)methyl]piperazin-2-one (PubChem CID 131929658) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-ethyl-4-[(2-methoxypyrimidin-5-yl)methyl]piperazin-2-one.

Molecular Properties

Compound Name1-ethyl-4-[(2-methoxypyrimidin-5-yl)methyl]piperazin-2-one
PubChem CID131929658
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name1-ethyl-4-[(2-methoxypyrimidin-5-yl)methyl]piperazin-2-one
SMILESCCN1CCN(Cc2cnc(OC)nc2)CC1=O
InChIInChI=1S/C12H18N4O2/c1-3-16-5-4-15(9-11(16)17)8-10-6-13-12(18-2)14-7-10/h6-7H,3-5,8-9H2,1-2H3
InChIKeyVCDXMIASGYMFAZ-UHFFFAOYSA-N
XLogP0.15
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-4-[(2-methoxypyrimidin-5-yl)methyl]piperazin-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 1-ethyl-4-[(2-methoxypyrimidin-5-yl)methyl]piperazin-2-one?
The IUPAC name of 1-ethyl-4-[(2-methoxypyrimidin-5-yl)methyl]piperazin-2-one (CID 131929658) is 1-ethyl-4-[(2-methoxypyrimidin-5-yl)methyl]piperazin-2-one.
What is the SMILES notation for 1-ethyl-4-[(2-methoxypyrimidin-5-yl)methyl]piperazin-2-one?
The canonical SMILES for 1-ethyl-4-[(2-methoxypyrimidin-5-yl)methyl]piperazin-2-one is CCN1CCN(Cc2cnc(OC)nc2)CC1=O.
What is the InChIKey of 1-ethyl-4-[(2-methoxypyrimidin-5-yl)methyl]piperazin-2-one?
The InChIKey is VCDXMIASGYMFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-3-16-5-4-15(9-11(16)17)8-10-6-13-12(18-2)14-7-10/h6-7H,3-5,8-9H2,1-2H3.
What are the key properties of 1-ethyl-4-[(2-methoxypyrimidin-5-yl)methyl]piperazin-2-one?
1-ethyl-4-[(2-methoxypyrimidin-5-yl)methyl]piperazin-2-one has a molecular weight of 250.30 g/mol, XLogP of 0.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(2-methoxypyrimidin-5-yl)methyl]piperazin-2-one is sourced from PubChem (CID 131929658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).