2-methoxy-6-methyl-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one

C12H18N2O3 — CID 103140217

IUPAC2-methoxy-6-methyl-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one
SMILESCOc1nc(C)cc(=O)n1CC1CCC(C)O1
InChIInChI=1S/C12H18N2O3/c1-8-6-11(15)14(12(13-8)16-3)7-10-5-4-9(2)17-10/h6,9-10H,4-5,7H2,1-3H3
InChIKeyQRMYHRVDOVTVJR-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.13
Rot. Bonds3

About 2-methoxy-6-methyl-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one

2-methoxy-6-methyl-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one (PubChem CID 103140217) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-methoxy-6-methyl-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name2-methoxy-6-methyl-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one
PubChem CID103140217
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-methoxy-6-methyl-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one
SMILESCOc1nc(C)cc(=O)n1CC1CCC(C)O1
InChIInChI=1S/C12H18N2O3/c1-8-6-11(15)14(12(13-8)16-3)7-10-5-4-9(2)17-10/h6,9-10H,4-5,7H2,1-3H3
InChIKeyQRMYHRVDOVTVJR-UHFFFAOYSA-N
XLogP1.13
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.13
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-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one?
The IUPAC name of 2-methoxy-6-methyl-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one (CID 103140217) is 2-methoxy-6-methyl-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 2-methoxy-6-methyl-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 2-methoxy-6-methyl-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one is COc1nc(C)cc(=O)n1CC1CCC(C)O1.
What is the InChIKey of 2-methoxy-6-methyl-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one?
The InChIKey is QRMYHRVDOVTVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-8-6-11(15)14(12(13-8)16-3)7-10-5-4-9(2)17-10/h6,9-10H,4-5,7H2,1-3H3.
What are the key properties of 2-methoxy-6-methyl-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one?
2-methoxy-6-methyl-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one has a molecular weight of 238.29 g/mol, XLogP of 1.13, 3 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-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 103140217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).