2-ethyl-4-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one

C13H21N3O2 — CID 136772448

IUPAC2-ethyl-4-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCCc1nc(N2CCC(C(C)O)CC2)cc(=O)[nH]1
InChIInChI=1S/C13H21N3O2/c1-3-11-14-12(8-13(18)15-11)16-6-4-10(5-7-16)9(2)17/h8-10,17H,3-7H2,1-2H3,(H,14,15,18)
InChIKeyQKDAPYYRAZGMGJ-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.93
Rot. Bonds3

About 2-ethyl-4-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one

2-ethyl-4-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136772448) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-ethyl-4-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136772448
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-ethyl-4-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCCc1nc(N2CCC(C(C)O)CC2)cc(=O)[nH]1
InChIInChI=1S/C13H21N3O2/c1-3-11-14-12(8-13(18)15-11)16-6-4-10(5-7-16)9(2)17/h8-10,17H,3-7H2,1-2H3,(H,14,15,18)
InChIKeyQKDAPYYRAZGMGJ-UHFFFAOYSA-N
XLogP0.93
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
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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Related Compounds

2-(1-ethylpiperidin-4-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 22618160
2-cyclopropyl-4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136702377
4-(3-methoxy-4-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136702379
2-cyclopropyl-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136702382
4-(3-methoxypiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136702385
4-[(2-hydroxy-4,4-dimethylpentyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136703822
2-cyclopropyl-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136703832
4-[(2-hydroxy-4-methylpentyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136703833
2-ethyl-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136703839
4-[2-(2-hydroxyethyl)pentylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136704097
2-ethyl-4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one
CID 136704104
4-(3-hydroxy-4-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136749163

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one (CID 136772448) is 2-ethyl-4-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one is CCc1nc(N2CCC(C(C)O)CC2)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is QKDAPYYRAZGMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-11-14-12(8-13(18)15-11)16-6-4-10(5-7-16)9(2)17/h8-10,17H,3-7H2,1-2H3,(H,14,15,18).
What are the key properties of 2-ethyl-4-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
2-ethyl-4-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 251.33 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136772448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).