5-bromo-4-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one

C11H16BrN3O2 — CID 136772450

IUPAC5-bromo-4-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCC(O)C1CCN(c2nc[nH]c(=O)c2Br)CC1
InChIInChI=1S/C11H16BrN3O2/c1-7(16)8-2-4-15(5-3-8)10-9(12)11(17)14-6-13-10/h6-8,16H,2-5H2,1H3,(H,13,14,17)
InChIKeyCYJSIYBJYGOBLN-UHFFFAOYSA-N
MW302.17 g/mol
LogP1.13
Rot. Bonds2

About 5-bromo-4-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one

5-bromo-4-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136772450) has the molecular formula C11H16BrN3O2 and a molecular weight of 302.17 g/mol. Its IUPAC name is 5-bromo-4-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136772450
Molecular FormulaC11H16BrN3O2
Molecular Weight302.17 g/mol
Exact Mass301.04
IUPAC Name5-bromo-4-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCC(O)C1CCN(c2nc[nH]c(=O)c2Br)CC1
InChIInChI=1S/C11H16BrN3O2/c1-7(16)8-2-4-15(5-3-8)10-9(12)11(17)14-6-13-10/h6-8,16H,2-5H2,1H3,(H,13,14,17)
InChIKeyCYJSIYBJYGOBLN-UHFFFAOYSA-N
XLogP1.13
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-bromo-4-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136703838
5-bromo-4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one
CID 136704102
5-bromo-4-(3-hydroxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136749161
4-(3-hydroxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136749166
4-(3-hydroxy-4-methylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136749167
5-bromo-4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136749176
4-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136772451
4-[4-(1-hydroxyethyl)piperidin-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 136772452
5-bromo-4-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyrimidin-6-one
CID 136811794
5-bromo-4-[(3-ethyl-2-hydroxypentyl)amino]-1H-pyrimidin-6-one
CID 136817759
5-bromo-4-(4-hydroxypentylamino)-1H-pyrimidin-6-one
CID 136902415
5-bromo-4-[(3-hydroxycyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136956894

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one (CID 136772450) is 5-bromo-4-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one is CC(O)C1CCN(c2nc[nH]c(=O)c2Br)CC1.
What is the InChIKey of 5-bromo-4-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is CYJSIYBJYGOBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O2/c1-7(16)8-2-4-15(5-3-8)10-9(12)11(17)14-6-13-10/h6-8,16H,2-5H2,1H3,(H,13,14,17).
What are the key properties of 5-bromo-4-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
5-bromo-4-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 302.17 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136772450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).