5-methoxy-4-propoxy-1H-pyrimidin-6-one

C8H12N2O3 — CID 103240822

IUPAC5-methoxy-4-propoxy-1H-pyrimidin-6-one
SMILESCCCOc1nc[nH]c(=O)c1OC
InChIInChI=1S/C8H12N2O3/c1-3-4-13-8-6(12-2)7(11)9-5-10-8/h5H,3-4H2,1-2H3,(H,9,10,11)
InChIKeySNYBJKZVEPMCSA-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.57
Rot. Bonds4

About 5-methoxy-4-propoxy-1H-pyrimidin-6-one

5-methoxy-4-propoxy-1H-pyrimidin-6-one (PubChem CID 103240822) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 5-methoxy-4-propoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-propoxy-1H-pyrimidin-6-one
PubChem CID103240822
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name5-methoxy-4-propoxy-1H-pyrimidin-6-one
SMILESCCCOc1nc[nH]c(=O)c1OC
InChIInChI=1S/C8H12N2O3/c1-3-4-13-8-6(12-2)7(11)9-5-10-8/h5H,3-4H2,1-2H3,(H,9,10,11)
InChIKeySNYBJKZVEPMCSA-UHFFFAOYSA-N
XLogP0.57
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methoxy-4-propoxy-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

4-Pyrimidinol, 5-ethoxy-
CID 3050570
5-Methoxypyrimidin-4-ol
CID 581046
6-Hydroxy-5-methoxypyrimidin-4(3H)-one
CID 14960368
5-methoxy-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one
CID 103240548
5-methoxy-4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrimidin-6-one
CID 103241789
4-(2,2-difluoroethoxy)-5-methoxy-1H-pyrimidin-6-one
CID 103241904
5-methoxy-4-(4,4,4-trifluorobutoxy)-1H-pyrimidin-6-one
CID 103241914
5-methoxy-4-(3,3,3-trifluoropropoxy)-1H-pyrimidin-6-one
CID 103241926
5-methoxy-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one
CID 113792594
disodium;4-hydroxy-5-methoxy-1H-pyrimidin-6-one
CID 139596980
6-Fluoro-5-methoxy-1,4-dihydropyrimidin-4-one
CID 171035676
5-butoxy-4-hydroxy-1H-pyrimidin-6-one
CID 69937300

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-propoxy-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-propoxy-1H-pyrimidin-6-one (CID 103240822) is 5-methoxy-4-propoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-propoxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-propoxy-1H-pyrimidin-6-one is CCCOc1nc[nH]c(=O)c1OC.
What is the InChIKey of 5-methoxy-4-propoxy-1H-pyrimidin-6-one?
The InChIKey is SNYBJKZVEPMCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-3-4-13-8-6(12-2)7(11)9-5-10-8/h5H,3-4H2,1-2H3,(H,9,10,11).
What are the key properties of 5-methoxy-4-propoxy-1H-pyrimidin-6-one?
5-methoxy-4-propoxy-1H-pyrimidin-6-one has a molecular weight of 184.19 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-propoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 103240822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).