4-(1-methoxypropan-2-yloxy)-1H-pyrimidin-6-one

C8H12N2O3 — CID 103241643

IUPAC4-(1-methoxypropan-2-yloxy)-1H-pyrimidin-6-one
SMILESCOCC(C)Oc1cc(=O)[nH]cn1
InChIInChI=1S/C8H12N2O3/c1-6(4-12-2)13-8-3-7(11)9-5-10-8/h3,5-6H,4H2,1-2H3,(H,9,10,11)
InChIKeyLKVRLCFXVNUYGG-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.18
Rot. Bonds4

About 4-(1-methoxypropan-2-yloxy)-1H-pyrimidin-6-one

4-(1-methoxypropan-2-yloxy)-1H-pyrimidin-6-one (PubChem CID 103241643) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 4-(1-methoxypropan-2-yloxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(1-methoxypropan-2-yloxy)-1H-pyrimidin-6-one
PubChem CID103241643
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name4-(1-methoxypropan-2-yloxy)-1H-pyrimidin-6-one
SMILESCOCC(C)Oc1cc(=O)[nH]cn1
InChIInChI=1S/C8H12N2O3/c1-6(4-12-2)13-8-3-7(11)9-5-10-8/h3,5-6H,4H2,1-2H3,(H,9,10,11)
InChIKeyLKVRLCFXVNUYGG-UHFFFAOYSA-N
XLogP0.18
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 ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(1-methoxypropan-2-yloxy)-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-(1-methoxypropan-2-yloxy)-1H-pyrimidin-6-one?
The IUPAC name of 4-(1-methoxypropan-2-yloxy)-1H-pyrimidin-6-one (CID 103241643) is 4-(1-methoxypropan-2-yloxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(1-methoxypropan-2-yloxy)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(1-methoxypropan-2-yloxy)-1H-pyrimidin-6-one is COCC(C)Oc1cc(=O)[nH]cn1.
What is the InChIKey of 4-(1-methoxypropan-2-yloxy)-1H-pyrimidin-6-one?
The InChIKey is LKVRLCFXVNUYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-6(4-12-2)13-8-3-7(11)9-5-10-8/h3,5-6H,4H2,1-2H3,(H,9,10,11).
What are the key properties of 4-(1-methoxypropan-2-yloxy)-1H-pyrimidin-6-one?
4-(1-methoxypropan-2-yloxy)-1H-pyrimidin-6-one has a molecular weight of 184.19 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methoxypropan-2-yloxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103241643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).