2-methoxy-6-methyl-3-[3-(oxolan-2-yl)propyl]pyrimidin-4-one

C13H20N2O3 — CID 79375438

IUPAC2-methoxy-6-methyl-3-[3-(oxolan-2-yl)propyl]pyrimidin-4-one
SMILESCOc1nc(C)cc(=O)n1CCCC1CCCO1
InChIInChI=1S/C13H20N2O3/c1-10-9-12(16)15(13(14-10)17-2)7-3-5-11-6-4-8-18-11/h9,11H,3-8H2,1-2H3
InChIKeyBNMYOERXDFBWHG-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.52
Rot. Bonds5

About 2-methoxy-6-methyl-3-[3-(oxolan-2-yl)propyl]pyrimidin-4-one

2-methoxy-6-methyl-3-[3-(oxolan-2-yl)propyl]pyrimidin-4-one (PubChem CID 79375438) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-methoxy-6-methyl-3-[3-(oxolan-2-yl)propyl]pyrimidin-4-one.

Molecular Properties

Compound Name2-methoxy-6-methyl-3-[3-(oxolan-2-yl)propyl]pyrimidin-4-one
PubChem CID79375438
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-methoxy-6-methyl-3-[3-(oxolan-2-yl)propyl]pyrimidin-4-one
SMILESCOc1nc(C)cc(=O)n1CCCC1CCCO1
InChIInChI=1S/C13H20N2O3/c1-10-9-12(16)15(13(14-10)17-2)7-3-5-11-6-4-8-18-11/h9,11H,3-8H2,1-2H3
InChIKeyBNMYOERXDFBWHG-UHFFFAOYSA-N
XLogP1.52
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-methyl-3-[3-(oxolan-2-yl)propyl]pyrimidin-4-one?
The IUPAC name of 2-methoxy-6-methyl-3-[3-(oxolan-2-yl)propyl]pyrimidin-4-one (CID 79375438) is 2-methoxy-6-methyl-3-[3-(oxolan-2-yl)propyl]pyrimidin-4-one.
What is the SMILES notation for 2-methoxy-6-methyl-3-[3-(oxolan-2-yl)propyl]pyrimidin-4-one?
The canonical SMILES for 2-methoxy-6-methyl-3-[3-(oxolan-2-yl)propyl]pyrimidin-4-one is COc1nc(C)cc(=O)n1CCCC1CCCO1.
What is the InChIKey of 2-methoxy-6-methyl-3-[3-(oxolan-2-yl)propyl]pyrimidin-4-one?
The InChIKey is BNMYOERXDFBWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-10-9-12(16)15(13(14-10)17-2)7-3-5-11-6-4-8-18-11/h9,11H,3-8H2,1-2H3.
What are the key properties of 2-methoxy-6-methyl-3-[3-(oxolan-2-yl)propyl]pyrimidin-4-one?
2-methoxy-6-methyl-3-[3-(oxolan-2-yl)propyl]pyrimidin-4-one has a molecular weight of 252.31 g/mol, XLogP of 1.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-methyl-3-[3-(oxolan-2-yl)propyl]pyrimidin-4-one is sourced from PubChem (CID 79375438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).