4-methoxy-5-methyl-2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one

C12H19N3O2 — CID 105499125

IUPAC4-methoxy-5-methyl-2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one
SMILESCOc1nc(CC2CCNCC2)[nH]c(=O)c1C
InChIInChI=1S/C12H19N3O2/c1-8-11(16)14-10(15-12(8)17-2)7-9-3-5-13-6-4-9/h9,13H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyZWELKUOQCZKPAK-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.63
Rot. Bonds3

About 4-methoxy-5-methyl-2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one

4-methoxy-5-methyl-2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 105499125) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-methoxy-5-methyl-2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methoxy-5-methyl-2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one
PubChem CID105499125
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-methoxy-5-methyl-2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one
SMILESCOc1nc(CC2CCNCC2)[nH]c(=O)c1C
InChIInChI=1S/C12H19N3O2/c1-8-11(16)14-10(15-12(8)17-2)7-9-3-5-13-6-4-9/h9,13H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyZWELKUOQCZKPAK-UHFFFAOYSA-N
XLogP0.63
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one
CID 63554456
4-hydroxy-2-piperidin-3-yl-5-propan-2-yl-1H-pyrimidin-6-one
CID 63554458
4-hydroxy-5-methyl-2-piperidin-3-yl-1H-pyrimidin-6-one
CID 63554636
5-ethyl-4-hydroxy-2-piperidin-4-yl-1H-pyrimidin-6-one
CID 63554810
4-hydroxy-2-piperidin-4-yl-5-propyl-1H-pyrimidin-6-one
CID 63554994
4-hydroxy-2-piperidin-4-yl-5-propan-2-yl-1H-pyrimidin-6-one
CID 63554995
4-hydroxy-5-methyl-2-piperidin-4-yl-1H-pyrimidin-6-one
CID 63555170
5-methyl-2-piperidin-4-yl-1H-pyrimidin-6-one
CID 84664929
5-methyl-2-(piperidin-3-ylmethyl)-1H-pyrimidin-6-one
CID 84675423
5-methyl-2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one
CID 84675428
2-(3-aminopropyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one
CID 105450687
4-methoxy-2-piperidin-4-yl-1H-pyrimidin-6-one
CID 105462846

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-methyl-2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-methoxy-5-methyl-2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one (CID 105499125) is 4-methoxy-5-methyl-2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methoxy-5-methyl-2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-methoxy-5-methyl-2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one is COc1nc(CC2CCNCC2)[nH]c(=O)c1C.
What is the InChIKey of 4-methoxy-5-methyl-2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is ZWELKUOQCZKPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8-11(16)14-10(15-12(8)17-2)7-9-3-5-13-6-4-9/h9,13H,3-7H2,1-2H3,(H,14,15,16).
What are the key properties of 4-methoxy-5-methyl-2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one?
4-methoxy-5-methyl-2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 237.30 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-methyl-2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 105499125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).