4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one

C11H19N3O2 — CID 136764961

IUPAC4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one
SMILESCC(C)COCCCNc1cc(=O)[nH]cn1
InChIInChI=1S/C11H19N3O2/c1-9(2)7-16-5-3-4-12-10-6-11(15)14-8-13-10/h6,8-9H,3-5,7H2,1-2H3,(H2,12,13,14,15)
InChIKeyLCTNUKKNNCPGTM-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.24
Rot. Bonds7

About 4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one

4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one (PubChem CID 136764961) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one
PubChem CID136764961
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one
SMILESCC(C)COCCCNc1cc(=O)[nH]cn1
InChIInChI=1S/C11H19N3O2/c1-9(2)7-16-5-3-4-12-10-6-11(15)14-8-13-10/h6,8-9H,3-5,7H2,1-2H3,(H2,12,13,14,15)
InChIKeyLCTNUKKNNCPGTM-UHFFFAOYSA-N
XLogP1.24
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[3-(2-methylpropoxy)propylamino]-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 4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one (CID 136764961) is 4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one is CC(C)COCCCNc1cc(=O)[nH]cn1.
What is the InChIKey of 4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one?
The InChIKey is LCTNUKKNNCPGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-9(2)7-16-5-3-4-12-10-6-11(15)14-8-13-10/h6,8-9H,3-5,7H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one?
4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one has a molecular weight of 225.29 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136764961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).