5,6-dimethyl-3-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one

C17H27N3O2 — CID 126941400

IUPAC5,6-dimethyl-3-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1ncn(CC2CCN(CC3CCCO3)CC2)c(=O)c1C
InChIInChI=1S/C17H27N3O2/c1-13-14(2)18-12-20(17(13)21)10-15-5-7-19(8-6-15)11-16-4-3-9-22-16/h12,15-16H,3-11H2,1-2H3
InChIKeyZAINWUGOJSSCSX-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.75
Rot. Bonds4

About 5,6-dimethyl-3-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one

5,6-dimethyl-3-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126941400) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 5,6-dimethyl-3-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dimethyl-3-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126941400
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name5,6-dimethyl-3-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1ncn(CC2CCN(CC3CCCO3)CC2)c(=O)c1C
InChIInChI=1S/C17H27N3O2/c1-13-14(2)18-12-20(17(13)21)10-15-5-7-19(8-6-15)11-16-4-3-9-22-16/h12,15-16H,3-11H2,1-2H3
InChIKeyZAINWUGOJSSCSX-UHFFFAOYSA-N
XLogP1.75
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 5,6-dimethyl-3-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one (CID 126941400) is 5,6-dimethyl-3-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 5,6-dimethyl-3-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 5,6-dimethyl-3-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one is Cc1ncn(CC2CCN(CC3CCCO3)CC2)c(=O)c1C.
What is the InChIKey of 5,6-dimethyl-3-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is ZAINWUGOJSSCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-13-14(2)18-12-20(17(13)21)10-15-5-7-19(8-6-15)11-16-4-3-9-22-16/h12,15-16H,3-11H2,1-2H3.
What are the key properties of 5,6-dimethyl-3-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one?
5,6-dimethyl-3-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 305.42 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126941400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).