5-bromo-4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-1H-pyrimidin-6-one

C12H19BrN4O2 — CID 136957938

IUPAC5-bromo-4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESCC(C)(O)CN1CCN(c2nc[nH]c(=O)c2Br)CC1
InChIInChI=1S/C12H19BrN4O2/c1-12(2,19)7-16-3-5-17(6-4-16)10-9(13)11(18)15-8-14-10/h8,19H,3-7H2,1-2H3,(H,14,15,18)
InChIKeyGNLJIWKDMYJEOE-UHFFFAOYSA-N
MW331.21 g/mol
LogP0.43
Rot. Bonds3

About 5-bromo-4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-1H-pyrimidin-6-one

5-bromo-4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136957938) has the molecular formula C12H19BrN4O2 and a molecular weight of 331.21 g/mol. Its IUPAC name is 5-bromo-4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-1H-pyrimidin-6-one
PubChem CID136957938
Molecular FormulaC12H19BrN4O2
Molecular Weight331.21 g/mol
Exact Mass330.07
IUPAC Name5-bromo-4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESCC(C)(O)CN1CCN(c2nc[nH]c(=O)c2Br)CC1
InChIInChI=1S/C12H19BrN4O2/c1-12(2,19)7-16-3-5-17(6-4-16)10-9(13)11(18)15-8-14-10/h8,19H,3-7H2,1-2H3,(H,14,15,18)
InChIKeyGNLJIWKDMYJEOE-UHFFFAOYSA-N
XLogP0.43
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-bromo-4-[4-(2-hydroxy-2-methylpropyl)piperazin-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-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one
CID 136792833
5-bromo-4-[2-(4-methylpiperazin-1-yl)ethylamino]-1H-pyrimidin-6-one
CID 136956200
5-bromo-4-[(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136956749
5-bromo-4-(4-propylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 136957345
4-(4-acetylpiperazin-1-yl)-5-bromo-1H-pyrimidin-6-one
CID 136957348
5-bromo-4-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 136957366
5-bromo-4-(4-ethylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 136957392
5-bromo-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 136957536
5-bromo-4-(2,2-dimethylmorpholin-4-yl)-1H-pyrimidin-6-one
CID 136957541
5-bromo-4-(2,2,6-trimethylmorpholin-4-yl)-1H-pyrimidin-6-one
CID 136957636
5-bromo-4-(4-butan-2-ylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 136957747
5-bromo-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1H-pyrimidin-6-one
CID 136957753

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-1H-pyrimidin-6-one (CID 136957938) is 5-bromo-4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-1H-pyrimidin-6-one is CC(C)(O)CN1CCN(c2nc[nH]c(=O)c2Br)CC1.
What is the InChIKey of 5-bromo-4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is GNLJIWKDMYJEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN4O2/c1-12(2,19)7-16-3-5-17(6-4-16)10-9(13)11(18)15-8-14-10/h8,19H,3-7H2,1-2H3,(H,14,15,18).
What are the key properties of 5-bromo-4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-1H-pyrimidin-6-one?
5-bromo-4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 331.21 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136957938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).