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

C12H19N3O2 — CID 136749164

IUPAC2-ethyl-4-(3-hydroxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCCc1nc(N2CCC(C)C(O)C2)cc(=O)[nH]1
InChIInChI=1S/C12H19N3O2/c1-3-10-13-11(6-12(17)14-10)15-5-4-8(2)9(16)7-15/h6,8-9,16H,3-5,7H2,1-2H3,(H,13,14,17)
InChIKeyHHSDQRWSDONELT-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.54
Rot. Bonds2

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

2-ethyl-4-(3-hydroxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136749164) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-ethyl-4-(3-hydroxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-(3-hydroxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136749164
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-ethyl-4-(3-hydroxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCCc1nc(N2CCC(C)C(O)C2)cc(=O)[nH]1
InChIInChI=1S/C12H19N3O2/c1-3-10-13-11(6-12(17)14-10)15-5-4-8(2)9(16)7-15/h6,8-9,16H,3-5,7H2,1-2H3,(H,13,14,17)
InChIKeyHHSDQRWSDONELT-UHFFFAOYSA-N
XLogP0.54
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 137008951
2-ethyl-4-(3-propylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 137009914
2-ethyl-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136706906
4-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-ethyl-1H-pyrimidin-6-one
CID 136979055
methyl 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylate
CID 136989698
2-ethyl-4-[4-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136958171
2-ethyl-4-(4-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 137009116
2-ethyl-4-[4-(methylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136977975
2-ethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009557
1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-2-methylpyrrolidine-3-carboxylic acid
CID 136959263
1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-4-methylpiperidine-2-carboxylic acid
CID 136972432
4-[3-(aminomethyl)azetidin-1-yl]-2-ethyl-1H-pyrimidin-6-one
CID 137008600

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(3-hydroxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-(3-hydroxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one (CID 136749164) is 2-ethyl-4-(3-hydroxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-(3-hydroxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-(3-hydroxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one is CCc1nc(N2CCC(C)C(O)C2)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-(3-hydroxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is HHSDQRWSDONELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-10-13-11(6-12(17)14-10)15-5-4-8(2)9(16)7-15/h6,8-9,16H,3-5,7H2,1-2H3,(H,13,14,17).
What are the key properties of 2-ethyl-4-(3-hydroxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
2-ethyl-4-(3-hydroxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 237.30 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(3-hydroxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136749164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).