4-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one

C12H19N3O3 — CID 136958055

IUPAC4-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N2CCC(OCCO)CC2)cc(=O)[nH]1
InChIInChI=1S/C12H19N3O3/c1-9-13-11(8-12(17)14-9)15-4-2-10(3-5-15)18-7-6-16/h8,10,16H,2-7H2,1H3,(H,13,14,17)
InChIKeyVPJVTDONHYOLNS-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.06
Rot. Bonds4

About 4-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one

4-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136958055) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one
PubChem CID136958055
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name4-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N2CCC(OCCO)CC2)cc(=O)[nH]1
InChIInChI=1S/C12H19N3O3/c1-9-13-11(8-12(17)14-9)15-4-2-10(3-5-15)18-7-6-16/h8,10,16H,2-7H2,1H3,(H,13,14,17)
InChIKeyVPJVTDONHYOLNS-UHFFFAOYSA-N
XLogP0.06
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one
CID 136569055
2-ethyl-4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one
CID 136730522
4-[3-(2-hydroxyethoxy)propylamino]-2-methyl-1H-pyrimidin-6-one
CID 136730526
4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136783251
2-ethyl-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one
CID 136783252
2-cyclopropyl-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one
CID 136783255
2-ethyl-4-[(3-hydroxy-4-methoxybutyl)amino]-1H-pyrimidin-6-one
CID 136805768
4-[(3-hydroxy-4-methoxybutyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136805770
2-ethyl-4-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyrimidin-6-one
CID 136811791
4-[(3S)-3-hydroxypiperidin-1-yl]-2-methyl-1H-pyrimidin-6-one
CID 136811799
2-ethyl-4-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136933987
4-(3-hydroxypentylamino)-2-methyl-1H-pyrimidin-6-one
CID 136957289

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one (CID 136958055) is 4-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one is Cc1nc(N2CCC(OCCO)CC2)cc(=O)[nH]1.
What is the InChIKey of 4-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is VPJVTDONHYOLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-9-13-11(8-12(17)14-9)15-4-2-10(3-5-15)18-7-6-16/h8,10,16H,2-7H2,1H3,(H,13,14,17).
What are the key properties of 4-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one?
4-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 253.30 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136958055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).