[4-(2-hydroxypropyl)piperazin-1-yl]-(2-methylpyrimidin-4-yl)methanone

C13H20N4O2 — CID 56802501

IUPAC[4-(2-hydroxypropyl)piperazin-1-yl]-(2-methylpyrimidin-4-yl)methanone
SMILESCc1nccc(C(=O)N2CCN(CC(C)O)CC2)n1
InChIInChI=1S/C13H20N4O2/c1-10(18)9-16-5-7-17(8-6-16)13(19)12-3-4-14-11(2)15-12/h3-4,10,18H,5-9H2,1-2H3
InChIKeyIRGIZYIOEHLOIO-UHFFFAOYSA-N
MW264.33 g/mol
LogP-0.08
Rot. Bonds3

About [4-(2-hydroxypropyl)piperazin-1-yl]-(2-methylpyrimidin-4-yl)methanone

[4-(2-hydroxypropyl)piperazin-1-yl]-(2-methylpyrimidin-4-yl)methanone (PubChem CID 56802501) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is [4-(2-hydroxypropyl)piperazin-1-yl]-(2-methylpyrimidin-4-yl)methanone.

Molecular Properties

Compound Name[4-(2-hydroxypropyl)piperazin-1-yl]-(2-methylpyrimidin-4-yl)methanone
PubChem CID56802501
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name[4-(2-hydroxypropyl)piperazin-1-yl]-(2-methylpyrimidin-4-yl)methanone
SMILESCc1nccc(C(=O)N2CCN(CC(C)O)CC2)n1
InChIInChI=1S/C13H20N4O2/c1-10(18)9-16-5-7-17(8-6-16)13(19)12-3-4-14-11(2)15-12/h3-4,10,18H,5-9H2,1-2H3
InChIKeyIRGIZYIOEHLOIO-UHFFFAOYSA-N
XLogP-0.08
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 ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-(2-methylpyrimidin-4-yl)methanone
CID 95613262
1-[4-(2-methylpyrimidine-4-carbonyl)piperazin-1-yl]ethanone
CID 47255982
(4,4-dimethylpiperazin-4-ium-1-yl)-(2-methylpyrimidin-4-yl)methanone
CID 123694464
(2-methylpyrimidin-4-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 55854973
[2-(butan-2-ylamino)pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109297095
4-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]pyridine-2-carboxamide
CID 133499674
(3-aminoazetidin-1-yl)-(2-methylpyrimidin-4-yl)methanone
CID 130925967
[4-(2-hydroxypropyl)piperazin-1-yl]-(2-piperidin-1-yl-3-pyridinyl)methanone
CID 56802486
(4-bromophenyl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95326223
(2,4-dimethylphenyl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 56779839
[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 95351719
ethyl 4-[2-(butan-2-ylamino)pyrimidine-4-carbonyl]piperazine-1-carboxylate
CID 109297137

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxypropyl)piperazin-1-yl]-(2-methylpyrimidin-4-yl)methanone?
The IUPAC name of [4-(2-hydroxypropyl)piperazin-1-yl]-(2-methylpyrimidin-4-yl)methanone (CID 56802501) is [4-(2-hydroxypropyl)piperazin-1-yl]-(2-methylpyrimidin-4-yl)methanone.
What is the SMILES notation for [4-(2-hydroxypropyl)piperazin-1-yl]-(2-methylpyrimidin-4-yl)methanone?
The canonical SMILES for [4-(2-hydroxypropyl)piperazin-1-yl]-(2-methylpyrimidin-4-yl)methanone is Cc1nccc(C(=O)N2CCN(CC(C)O)CC2)n1.
What is the InChIKey of [4-(2-hydroxypropyl)piperazin-1-yl]-(2-methylpyrimidin-4-yl)methanone?
The InChIKey is IRGIZYIOEHLOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-10(18)9-16-5-7-17(8-6-16)13(19)12-3-4-14-11(2)15-12/h3-4,10,18H,5-9H2,1-2H3.
What are the key properties of [4-(2-hydroxypropyl)piperazin-1-yl]-(2-methylpyrimidin-4-yl)methanone?
[4-(2-hydroxypropyl)piperazin-1-yl]-(2-methylpyrimidin-4-yl)methanone has a molecular weight of 264.33 g/mol, XLogP of -0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxypropyl)piperazin-1-yl]-(2-methylpyrimidin-4-yl)methanone is sourced from PubChem (CID 56802501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).