5-methoxy-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one

C12H19N3O3 — CID 103241699

IUPAC5-methoxy-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one
SMILESCOc1c(OCC2CCCCN2C)nc[nH]c1=O
InChIInChI=1S/C12H19N3O3/c1-15-6-4-3-5-9(15)7-18-12-10(17-2)11(16)13-8-14-12/h8-9H,3-7H2,1-2H3,(H,13,14,16)
InChIKeyQXFYTFOJORHPOI-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.64
Rot. Bonds4

About 5-methoxy-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one

5-methoxy-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one (PubChem CID 103241699) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 5-methoxy-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one
PubChem CID103241699
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name5-methoxy-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one
SMILESCOc1c(OCC2CCCCN2C)nc[nH]c1=O
InChIInChI=1S/C12H19N3O3/c1-15-6-4-3-5-9(15)7-18-12-10(17-2)11(16)13-8-14-12/h8-9H,3-7H2,1-2H3,(H,13,14,16)
InChIKeyQXFYTFOJORHPOI-UHFFFAOYSA-N
XLogP0.64
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one (CID 103241699) is 5-methoxy-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one is COc1c(OCC2CCCCN2C)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one?
The InChIKey is QXFYTFOJORHPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-15-6-4-3-5-9(15)7-18-12-10(17-2)11(16)13-8-14-12/h8-9H,3-7H2,1-2H3,(H,13,14,16).
What are the key properties of 5-methoxy-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one?
5-methoxy-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one has a molecular weight of 253.30 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 103241699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).