5-methoxy-4-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one

C11H18N4O2 — CID 136958307

IUPAC5-methoxy-4-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCNC1CCCN(c2nc[nH]c(=O)c2OC)C1
InChIInChI=1S/C11H18N4O2/c1-12-8-4-3-5-15(6-8)10-9(17-2)11(16)14-7-13-10/h7-8,12H,3-6H2,1-2H3,(H,13,14,16)
InChIKeyAYWDHTKCTXLAGR-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.03
Rot. Bonds3

About 5-methoxy-4-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one

5-methoxy-4-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136958307) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-methoxy-4-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136958307
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name5-methoxy-4-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCNC1CCCN(c2nc[nH]c(=O)c2OC)C1
InChIInChI=1S/C11H18N4O2/c1-12-8-4-3-5-15(6-8)10-9(17-2)11(16)14-7-13-10/h7-8,12H,3-6H2,1-2H3,(H,13,14,16)
InChIKeyAYWDHTKCTXLAGR-UHFFFAOYSA-N
XLogP-0.03
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one (CID 136958307) is 5-methoxy-4-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one is CNC1CCCN(c2nc[nH]c(=O)c2OC)C1.
What is the InChIKey of 5-methoxy-4-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is AYWDHTKCTXLAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-12-8-4-3-5-15(6-8)10-9(17-2)11(16)14-7-13-10/h7-8,12H,3-6H2,1-2H3,(H,13,14,16).
What are the key properties of 5-methoxy-4-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one?
5-methoxy-4-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 238.29 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136958307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).