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

C18H29N3O2 — CID 126941399

IUPAC5,6-dimethyl-3-[[1-(oxan-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1ncn(CC2CCN(CC3CCCCO3)CC2)c(=O)c1C
InChIInChI=1S/C18H29N3O2/c1-14-15(2)19-13-21(18(14)22)11-16-6-8-20(9-7-16)12-17-5-3-4-10-23-17/h13,16-17H,3-12H2,1-2H3
InChIKeyONXYOFYVPHPTJG-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.14
Rot. Bonds4

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

5,6-dimethyl-3-[[1-(oxan-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126941399) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 5,6-dimethyl-3-[[1-(oxan-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dimethyl-3-[[1-(oxan-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126941399
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name5,6-dimethyl-3-[[1-(oxan-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1ncn(CC2CCN(CC3CCCCO3)CC2)c(=O)c1C
InChIInChI=1S/C18H29N3O2/c1-14-15(2)19-13-21(18(14)22)11-16-6-8-20(9-7-16)12-17-5-3-4-10-23-17/h13,16-17H,3-12H2,1-2H3
InChIKeyONXYOFYVPHPTJG-UHFFFAOYSA-N
XLogP2.14
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.14
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-(oxan-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 5,6-dimethyl-3-[[1-(oxan-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one (CID 126941399) is 5,6-dimethyl-3-[[1-(oxan-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 5,6-dimethyl-3-[[1-(oxan-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 5,6-dimethyl-3-[[1-(oxan-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one is Cc1ncn(CC2CCN(CC3CCCCO3)CC2)c(=O)c1C.
What is the InChIKey of 5,6-dimethyl-3-[[1-(oxan-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is ONXYOFYVPHPTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-14-15(2)19-13-21(18(14)22)11-16-6-8-20(9-7-16)12-17-5-3-4-10-23-17/h13,16-17H,3-12H2,1-2H3.
What are the key properties of 5,6-dimethyl-3-[[1-(oxan-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one?
5,6-dimethyl-3-[[1-(oxan-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 319.45 g/mol, XLogP of 2.14, 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-(oxan-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126941399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).