2-hydroxy-1-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone

C13H20N4O2 — CID 136519236

IUPAC2-hydroxy-1-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
SMILESCC(C)c1nccc(N2CCN(C(=O)CO)CC2)n1
InChIInChI=1S/C13H20N4O2/c1-10(2)13-14-4-3-11(15-13)16-5-7-17(8-6-16)12(19)9-18/h3-4,10,18H,5-9H2,1-2H3
InChIKeyLVZJSHXNLGBMBV-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.24
Rot. Bonds3

About 2-hydroxy-1-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone

2-hydroxy-1-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone (PubChem CID 136519236) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-hydroxy-1-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
PubChem CID136519236
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-hydroxy-1-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
SMILESCC(C)c1nccc(N2CCN(C(=O)CO)CC2)n1
InChIInChI=1S/C13H20N4O2/c1-10(2)13-14-4-3-11(15-13)16-5-7-17(8-6-16)12(19)9-18/h3-4,10,18H,5-9H2,1-2H3
InChIKeyLVZJSHXNLGBMBV-UHFFFAOYSA-N
XLogP0.24
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-propan-2-ylpyrimidin-4-yl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 167781320
3-methyl-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 122052448
1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]-2-propan-2-yloxyethanone
CID 75463330
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 97212136
1-[4-(2-butan-2-ylpyrimidin-4-yl)piperazin-1-yl]-4-imidazol-1-ylbutan-1-one
CID 166370342
3-(2-hydroxyethyl)-7-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one
CID 126898859
2,2-dimethyl-N-[5-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-pyridinyl]propanamide
CID 163356599
1-[4-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-2-yl]ethanol
CID 90916352
N-methyl-N-[1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 155974234
2-(3,4-dimethylphenoxy)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 26953586
4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-propan-2-ylpyrimidine
CID 136512880
2-(2-chlorophenoxy)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 26953597

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-hydroxy-1-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone (CID 136519236) is 2-hydroxy-1-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-hydroxy-1-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone is CC(C)c1nccc(N2CCN(C(=O)CO)CC2)n1.
What is the InChIKey of 2-hydroxy-1-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone?
The InChIKey is LVZJSHXNLGBMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-10(2)13-14-4-3-11(15-13)16-5-7-17(8-6-16)12(19)9-18/h3-4,10,18H,5-9H2,1-2H3.
What are the key properties of 2-hydroxy-1-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone?
2-hydroxy-1-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone has a molecular weight of 264.33 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 136519236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).