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

C12H20N4O2 — CID 136957939

IUPAC4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESCC(C)(O)CN1CCN(c2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C12H20N4O2/c1-12(2,18)8-15-3-5-16(6-4-15)10-7-11(17)14-9-13-10/h7,9,18H,3-6,8H2,1-2H3,(H,13,14,17)
InChIKeyNPAZXJAXODQRFS-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.34
Rot. Bonds3

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

4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136957939) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-1H-pyrimidin-6-one
PubChem CID136957939
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESCC(C)(O)CN1CCN(c2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C12H20N4O2/c1-12(2,18)8-15-3-5-16(6-4-15)10-7-11(17)14-9-13-10/h7,9,18H,3-6,8H2,1-2H3,(H,13,14,17)
InChIKeyNPAZXJAXODQRFS-UHFFFAOYSA-N
XLogP-0.34
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

US10766903, Example 132
CID 134451368
3-Methyl-6-piperazin-1-ylpyrimidin-4-one
CID 117713852
3-[(4-Hydroxy-1-methylpiperidin-4-yl)methyl]-6-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-one
CID 134451267
4-(6-Oxo-1,6-dihydro-pyrimidin-4-yl)-piperazine-1-carboxylic acid tert-butyl ester
CID 136102561
6-(4-Methylpiperazin-1-yl)-3,4-dihydropyrimidin-4-one
CID 136102577
2-methylpropane;4-piperazin-1-yl-1H-pyrimidin-6-one
CID 144328552
N-[2-[[1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-6-oxopyrimidin-4-yl]amino]ethyl]formamide
CID 167160612
tert-butyl formate;4-piperazin-1-yl-1H-pyrimidin-6-one
CID 175268988
4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 136726432
4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one
CID 136822016
4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-1H-pyrimidin-6-one
CID 136857371
4-[2-(4-methylpiperazin-1-yl)ethylamino]-1H-pyrimidin-6-one
CID 136956201

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-1H-pyrimidin-6-one (CID 136957939) is 4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-1H-pyrimidin-6-one is CC(C)(O)CN1CCN(c2cc(=O)[nH]cn2)CC1.
What is the InChIKey of 4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is NPAZXJAXODQRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-12(2,18)8-15-3-5-16(6-4-15)10-7-11(17)14-9-13-10/h7,9,18H,3-6,8H2,1-2H3,(H,13,14,17).
What are the key properties of 4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-1H-pyrimidin-6-one?
4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 252.32 g/mol, XLogP of -0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136957939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).