2-ethyl-4-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-1H-pyrimidin-6-one

C13H21N3O2 — CID 136933987

IUPAC2-ethyl-4-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCCc1nc(N2CCC(O)C(C)(C)C2)cc(=O)[nH]1
InChIInChI=1S/C13H21N3O2/c1-4-10-14-11(7-12(18)15-10)16-6-5-9(17)13(2,3)8-16/h7,9,17H,4-6,8H2,1-3H3,(H,14,15,18)
InChIKeyHLRMVCQYSFPERL-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.93
Rot. Bonds2

About 2-ethyl-4-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-1H-pyrimidin-6-one

2-ethyl-4-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136933987) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-ethyl-4-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136933987
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-ethyl-4-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCCc1nc(N2CCC(O)C(C)(C)C2)cc(=O)[nH]1
InChIInChI=1S/C13H21N3O2/c1-4-10-14-11(7-12(18)15-10)16-6-5-9(17)13(2,3)8-16/h7,9,17H,4-6,8H2,1-3H3,(H,14,15,18)
InChIKeyHLRMVCQYSFPERL-UHFFFAOYSA-N
XLogP0.93
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-1H-pyrimidin-6-one (CID 136933987) is 2-ethyl-4-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-1H-pyrimidin-6-one is CCc1nc(N2CCC(O)C(C)(C)C2)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is HLRMVCQYSFPERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-4-10-14-11(7-12(18)15-10)16-6-5-9(17)13(2,3)8-16/h7,9,17H,4-6,8H2,1-3H3,(H,14,15,18).
What are the key properties of 2-ethyl-4-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-1H-pyrimidin-6-one?
2-ethyl-4-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 251.33 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136933987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).