2-methyl-4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one

C10H17N3O2 — CID 114586342

IUPAC2-methyl-4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one
SMILESCCCNCCOc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C10H17N3O2/c1-3-4-11-5-6-15-10-7-9(14)12-8(2)13-10/h7,11H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyPQRKVYHMIWSHCS-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.46
Rot. Bonds6

About 2-methyl-4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one

2-methyl-4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one (PubChem CID 114586342) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-methyl-4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one
PubChem CID114586342
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-methyl-4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one
SMILESCCCNCCOc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C10H17N3O2/c1-3-4-11-5-6-15-10-7-9(14)12-8(2)13-10/h7,11H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyPQRKVYHMIWSHCS-UHFFFAOYSA-N
XLogP0.46
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methyl-4-[2-(propylamino)ethoxy]-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 2-methyl-4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one (CID 114586342) is 2-methyl-4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one is CCCNCCOc1cc(=O)[nH]c(C)n1.
What is the InChIKey of 2-methyl-4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one?
The InChIKey is PQRKVYHMIWSHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-3-4-11-5-6-15-10-7-9(14)12-8(2)13-10/h7,11H,3-6H2,1-2H3,(H,12,13,14).
What are the key properties of 2-methyl-4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one?
2-methyl-4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one has a molecular weight of 211.26 g/mol, XLogP of 0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 114586342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).