3-[[1-(2-hydroxycyclobutyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one

C16H25N3O2 — CID 126941447

IUPAC3-[[1-(2-hydroxycyclobutyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one
SMILESCc1ncn(CC2CCN(C3CCC3O)CC2)c(=O)c1C
InChIInChI=1S/C16H25N3O2/c1-11-12(2)17-10-19(16(11)21)9-13-5-7-18(8-6-13)14-3-4-15(14)20/h10,13-15,20H,3-9H2,1-2H3
InChIKeyOYRJNYXRDBMBGQ-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.10
Rot. Bonds3

About 3-[[1-(2-hydroxycyclobutyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one

3-[[1-(2-hydroxycyclobutyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one (PubChem CID 126941447) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-[[1-(2-hydroxycyclobutyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-[[1-(2-hydroxycyclobutyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one
PubChem CID126941447
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name3-[[1-(2-hydroxycyclobutyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one
SMILESCc1ncn(CC2CCN(C3CCC3O)CC2)c(=O)c1C
InChIInChI=1S/C16H25N3O2/c1-11-12(2)17-10-19(16(11)21)9-13-5-7-18(8-6-13)14-3-4-15(14)20/h10,13-15,20H,3-9H2,1-2H3
InChIKeyOYRJNYXRDBMBGQ-UHFFFAOYSA-N
XLogP1.10
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-hydroxycyclobutyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-[[1-(2-hydroxycyclobutyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one (CID 126941447) is 3-[[1-(2-hydroxycyclobutyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-[[1-(2-hydroxycyclobutyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-[[1-(2-hydroxycyclobutyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one is Cc1ncn(CC2CCN(C3CCC3O)CC2)c(=O)c1C.
What is the InChIKey of 3-[[1-(2-hydroxycyclobutyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one?
The InChIKey is OYRJNYXRDBMBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11-12(2)17-10-19(16(11)21)9-13-5-7-18(8-6-13)14-3-4-15(14)20/h10,13-15,20H,3-9H2,1-2H3.
What are the key properties of 3-[[1-(2-hydroxycyclobutyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one?
3-[[1-(2-hydroxycyclobutyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one has a molecular weight of 291.39 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-hydroxycyclobutyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 126941447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).