4-[2-(methylamino)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one

C10H17N3O2 — CID 114586300

IUPAC4-[2-(methylamino)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCNCCOc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C10H17N3O2/c1-7(2)10-12-8(14)6-9(13-10)15-5-4-11-3/h6-7,11H,4-5H2,1-3H3,(H,12,13,14)
InChIKeyKUXMTEJENDJTSX-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.49
Rot. Bonds5

About 4-[2-(methylamino)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one

4-[2-(methylamino)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 114586300) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 4-[2-(methylamino)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(methylamino)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID114586300
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name4-[2-(methylamino)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCNCCOc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C10H17N3O2/c1-7(2)10-12-8(14)6-9(13-10)15-5-4-11-3/h6-7,11H,4-5H2,1-3H3,(H,12,13,14)
InChIKeyKUXMTEJENDJTSX-UHFFFAOYSA-N
XLogP0.49
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[2-(methylamino)ethoxy]-2-propan-2-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-Ethyl-4-ethoxy-6-hydroxypyrimidine
CID 12940703
2-propan-2-yl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136975765
4-[2-(2,2-difluoroethoxy)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136999737
2-tert-butyl-4-ethoxy-1H-pyrimidin-6-one
CID 14279697
6-Methoxy-2-(propan-2-yl)pyrimidin-4(3H)-one
CID 23338958
2-Ethyl-6-propoxypyrimidin-4(1H)-one
CID 45117356
6-Isopropoxy-2-isopropylpyrimidin-4(1H)-one
CID 45117357
6-Propoxy-2-propylpyrimidin-4(1H)-one
CID 45117371
2-Isopropyl-6-propoxypyrimidin-4(1H)-one
CID 45117379
4-[(6-methylmorpholin-2-yl)methoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 102634872
2-ethyl-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 102635013
4-[2-[cyclopropyl(methyl)amino]ethoxy]-2-methyl-1H-pyrimidin-6-one
CID 102741496

Frequently Asked Questions

What is the IUPAC name of 4-[2-(methylamino)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(methylamino)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one (CID 114586300) is 4-[2-(methylamino)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(methylamino)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(methylamino)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one is CNCCOc1cc(=O)[nH]c(C(C)C)n1.
What is the InChIKey of 4-[2-(methylamino)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is KUXMTEJENDJTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7(2)10-12-8(14)6-9(13-10)15-5-4-11-3/h6-7,11H,4-5H2,1-3H3,(H,12,13,14).
What are the key properties of 4-[2-(methylamino)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[2-(methylamino)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 211.26 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methylamino)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 114586300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).