4-(3-methoxypropoxy)-1H-pyrimidin-6-one

C8H12N2O3 — CID 103240874

IUPAC4-(3-methoxypropoxy)-1H-pyrimidin-6-one
SMILESCOCCCOc1cc(=O)[nH]cn1
InChIInChI=1S/C8H12N2O3/c1-12-3-2-4-13-8-5-7(11)9-6-10-8/h5-6H,2-4H2,1H3,(H,9,10,11)
InChIKeyLUGVYBUMPAZUNI-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.19
Rot. Bonds5

About 4-(3-methoxypropoxy)-1H-pyrimidin-6-one

4-(3-methoxypropoxy)-1H-pyrimidin-6-one (PubChem CID 103240874) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 4-(3-methoxypropoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-methoxypropoxy)-1H-pyrimidin-6-one
PubChem CID103240874
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name4-(3-methoxypropoxy)-1H-pyrimidin-6-one
SMILESCOCCCOc1cc(=O)[nH]cn1
InChIInChI=1S/C8H12N2O3/c1-12-3-2-4-13-8-5-7(11)9-6-10-8/h5-6H,2-4H2,1H3,(H,9,10,11)
InChIKeyLUGVYBUMPAZUNI-UHFFFAOYSA-N
XLogP0.19
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(3-methoxypropoxy)-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

6-Methoxy-4-1H-pyrimidinone
CID 3770663
4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one
CID 103240406
4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one
CID 103240553
4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrimidin-6-one
CID 103241792
4-(2,2,3,3,4,4,4-heptafluorobutoxy)-1H-pyrimidin-6-one
CID 146231679
4-(2,2,3,4,4,4-hexafluorobutoxy)-1H-pyrimidin-6-one
CID 146231682
4-(2,2,3,3-tetrafluorobutoxy)-1H-pyrimidin-6-one
CID 157794543
4-(2,2,3-trifluorobutoxy)-1H-pyrimidin-6-one
CID 159056896
4-(2,2-difluoroethoxy)-1H-pyrimidin-6-one
CID 103241907
4-(4,4,4-trifluorobutoxy)-1H-pyrimidin-6-one
CID 103241918
4-(3,3,3-trifluoropropoxy)-1H-pyrimidin-6-one
CID 103241930
2-Methoxy-4-ethoxy-6-hydroxypyrimidine
CID 12258859

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypropoxy)-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-methoxypropoxy)-1H-pyrimidin-6-one (CID 103240874) is 4-(3-methoxypropoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-methoxypropoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-methoxypropoxy)-1H-pyrimidin-6-one is COCCCOc1cc(=O)[nH]cn1.
What is the InChIKey of 4-(3-methoxypropoxy)-1H-pyrimidin-6-one?
The InChIKey is LUGVYBUMPAZUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-12-3-2-4-13-8-5-7(11)9-6-10-8/h5-6H,2-4H2,1H3,(H,9,10,11).
What are the key properties of 4-(3-methoxypropoxy)-1H-pyrimidin-6-one?
4-(3-methoxypropoxy)-1H-pyrimidin-6-one has a molecular weight of 184.19 g/mol, XLogP of 0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypropoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103240874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).