2-[(1,4-dimethylpiperazin-2-yl)methyl]-4-hydroxy-1H-pyrimidin-6-one

C11H18N4O2 — CID 115414468

IUPAC2-[(1,4-dimethylpiperazin-2-yl)methyl]-4-hydroxy-1H-pyrimidin-6-one
SMILESCN1CCN(C)C(Cc2nc(O)cc(=O)[nH]2)C1
InChIInChI=1S/C11H18N4O2/c1-14-3-4-15(2)8(7-14)5-9-12-10(16)6-11(17)13-9/h6,8H,3-5,7H2,1-2H3,(H2,12,13,16,17)
InChIKeyGENPZLBRPXQYMD-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.74
Rot. Bonds2

About 2-[(1,4-dimethylpiperazin-2-yl)methyl]-4-hydroxy-1H-pyrimidin-6-one

2-[(1,4-dimethylpiperazin-2-yl)methyl]-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 115414468) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[(1,4-dimethylpiperazin-2-yl)methyl]-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(1,4-dimethylpiperazin-2-yl)methyl]-4-hydroxy-1H-pyrimidin-6-one
PubChem CID115414468
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name2-[(1,4-dimethylpiperazin-2-yl)methyl]-4-hydroxy-1H-pyrimidin-6-one
SMILESCN1CCN(C)C(Cc2nc(O)cc(=O)[nH]2)C1
InChIInChI=1S/C11H18N4O2/c1-14-3-4-15(2)8(7-14)5-9-12-10(16)6-11(17)13-9/h6,8H,3-5,7H2,1-2H3,(H2,12,13,16,17)
InChIKeyGENPZLBRPXQYMD-UHFFFAOYSA-N
XLogP-0.74
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-4-hydroxy-2-(1-piperazin-1-ylethyl)-1H-pyrimidin-6-one
CID 80550837
5-fluoro-4-hydroxy-2-(1-piperazin-1-ylpropyl)-1H-pyrimidin-6-one
CID 80550863
5-fluoro-4-hydroxy-2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one
CID 80550922
4-hydroxy-2-(piperidin-1-ylmethyl)-1H-pyrimidin-6-one
CID 22618178
2-[[di(propan-2-yl)amino]methyl]-4-hydroxy-1H-pyrimidin-6-one
CID 67282636
2-(1-acetyl-6-methyl-3-piperidinyl)-6-hydroxy-4(3H)-Pyrimidinone
CID 154942916
2-[(3R,6S)-1-acetyl-6-methylpiperidin-3-yl]-4-hydroxy-1H-pyrimidin-6-one
CID 156210372
2-[(6S)-1-acetyl-6-methylpiperidin-3-yl]-4-hydroxy-1H-pyrimidin-6-one
CID 167376559
2-(1-ethyl-6-methylpiperidin-3-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 170102342
5-ethyl-4-hydroxy-2-(1-piperazin-1-ylpropyl)-1H-pyrimidin-6-one
CID 55221567
4-hydroxy-2-(1-piperazin-1-ylpropyl)-1H-pyrimidin-6-one
CID 55221568
4-hydroxy-2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one
CID 55221569

Frequently Asked Questions

What is the IUPAC name of 2-[(1,4-dimethylpiperazin-2-yl)methyl]-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-[(1,4-dimethylpiperazin-2-yl)methyl]-4-hydroxy-1H-pyrimidin-6-one (CID 115414468) is 2-[(1,4-dimethylpiperazin-2-yl)methyl]-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(1,4-dimethylpiperazin-2-yl)methyl]-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(1,4-dimethylpiperazin-2-yl)methyl]-4-hydroxy-1H-pyrimidin-6-one is CN1CCN(C)C(Cc2nc(O)cc(=O)[nH]2)C1.
What is the InChIKey of 2-[(1,4-dimethylpiperazin-2-yl)methyl]-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is GENPZLBRPXQYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-14-3-4-15(2)8(7-14)5-9-12-10(16)6-11(17)13-9/h6,8H,3-5,7H2,1-2H3,(H2,12,13,16,17).
What are the key properties of 2-[(1,4-dimethylpiperazin-2-yl)methyl]-4-hydroxy-1H-pyrimidin-6-one?
2-[(1,4-dimethylpiperazin-2-yl)methyl]-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 238.29 g/mol, XLogP of -0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,4-dimethylpiperazin-2-yl)methyl]-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 115414468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).