[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-pyrimidin-5-ylmethanone

C13H20N4O2 — CID 104627474

IUPAC[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-pyrimidin-5-ylmethanone
SMILESCC(C)(O)CN1CCN(C(=O)c2cncnc2)CC1
InChIInChI=1S/C13H20N4O2/c1-13(2,19)9-16-3-5-17(6-4-16)12(18)11-7-14-10-15-8-11/h7-8,10,19H,3-6,9H2,1-2H3
InChIKeyZAAXKRMBGYMIBL-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.01
Rot. Bonds3

About [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-pyrimidin-5-ylmethanone

[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-pyrimidin-5-ylmethanone (PubChem CID 104627474) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-pyrimidin-5-ylmethanone.

Molecular Properties

Compound Name[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-pyrimidin-5-ylmethanone
PubChem CID104627474
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-pyrimidin-5-ylmethanone
SMILESCC(C)(O)CN1CCN(C(=O)c2cncnc2)CC1
InChIInChI=1S/C13H20N4O2/c1-13(2,19)9-16-3-5-17(6-4-16)12(18)11-7-14-10-15-8-11/h7-8,10,19H,3-6,9H2,1-2H3
InChIKeyZAAXKRMBGYMIBL-UHFFFAOYSA-N
XLogP0.01
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 ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-chloro-4-pyridinyl)-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone
CID 63657797
[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone
CID 63657795
(4-benzylpiperazin-1-yl)-pyrimidin-5-ylmethanone
CID 110853065
[4-(5-aminopentyl)piperazin-1-yl]-pyrimidin-5-ylmethanone
CID 102921171
[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone
CID 66336316
(2-amino-6-chloro-4-pyridinyl)-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone
CID 63656588
(3-ethyl-1-methylpyrazol-4-yl)-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone
CID 103894061
(4-fluoro-3-sulfanylphenyl)-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone
CID 107030625
3-[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]benzonitrile
CID 63656587
1-[5-[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]-1H-pyrrol-3-yl]ethanone
CID 63103874
(6-chloro-2-pyridinyl)-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone
CID 63656995
[4-(1-aminopentan-3-yl)piperazin-1-yl]-pyrimidin-5-ylmethanone
CID 102921173

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-pyrimidin-5-ylmethanone?
The IUPAC name of [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-pyrimidin-5-ylmethanone (CID 104627474) is [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-pyrimidin-5-ylmethanone.
What is the SMILES notation for [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-pyrimidin-5-ylmethanone?
The canonical SMILES for [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-pyrimidin-5-ylmethanone is CC(C)(O)CN1CCN(C(=O)c2cncnc2)CC1.
What is the InChIKey of [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-pyrimidin-5-ylmethanone?
The InChIKey is ZAAXKRMBGYMIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-13(2,19)9-16-3-5-17(6-4-16)12(18)11-7-14-10-15-8-11/h7-8,10,19H,3-6,9H2,1-2H3.
What are the key properties of [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-pyrimidin-5-ylmethanone?
[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-pyrimidin-5-ylmethanone has a molecular weight of 264.33 g/mol, XLogP of 0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-pyrimidin-5-ylmethanone is sourced from PubChem (CID 104627474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).