1-[4-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-2-yl]ethanol

C14H24N4O — CID 90916352

IUPAC1-[4-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-2-yl]ethanol
SMILESCC(C)CN1CCN(c2ccnc(C(C)O)n2)CC1
InChIInChI=1S/C14H24N4O/c1-11(2)10-17-6-8-18(9-7-17)13-4-5-15-14(16-13)12(3)19/h4-5,11-12,19H,6-10H2,1-3H3
InChIKeyQUEVRRVRPFNWKL-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.31
Rot. Bonds4

About 1-[4-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-2-yl]ethanol

1-[4-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-2-yl]ethanol (PubChem CID 90916352) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[4-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-2-yl]ethanol.

Molecular Properties

Compound Name1-[4-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-2-yl]ethanol
PubChem CID90916352
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name1-[4-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-2-yl]ethanol
SMILESCC(C)CN1CCN(c2ccnc(C(C)O)n2)CC1
InChIInChI=1S/C14H24N4O/c1-11(2)10-17-6-8-18(9-7-17)13-4-5-15-14(16-13)12(3)19/h4-5,11-12,19H,6-10H2,1-3H3
InChIKeyQUEVRRVRPFNWKL-UHFFFAOYSA-N
XLogP1.31
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]ethanol
CID 22328845
2-[4-(2-methylpropyl)piperazin-1-yl]pyridin-4-amine
CID 62776997
[2-[4-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]methanol
CID 55116637
6-[4-(2-methylpropyl)piperazin-1-yl]pyridin-2-amine
CID 80653536
1-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]butan-2-ol
CID 111442513
2-hydroxy-1-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 136519236
1-[4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]ethanol
CID 62777793
2-[4-(2-methylpropyl)piperazin-1-yl]pyridine-4-carboximidamide
CID 55116927
(2S)-1-[4-[5-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]pyrazin-2-yl]piperazin-1-yl]propan-2-ol
CID 136583777
(2R)-1-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]hex-5-en-2-ol
CID 124616946
4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-propan-2-ylpyrimidine
CID 136512880
1-[4-(3-methyl-4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-2-yl]ethanol
CID 22088662

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-2-yl]ethanol?
The IUPAC name of 1-[4-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-2-yl]ethanol (CID 90916352) is 1-[4-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-2-yl]ethanol.
What is the SMILES notation for 1-[4-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-2-yl]ethanol?
The canonical SMILES for 1-[4-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-2-yl]ethanol is CC(C)CN1CCN(c2ccnc(C(C)O)n2)CC1.
What is the InChIKey of 1-[4-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-2-yl]ethanol?
The InChIKey is QUEVRRVRPFNWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-11(2)10-17-6-8-18(9-7-17)13-4-5-15-14(16-13)12(3)19/h4-5,11-12,19H,6-10H2,1-3H3.
What are the key properties of 1-[4-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-2-yl]ethanol?
1-[4-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-2-yl]ethanol has a molecular weight of 264.37 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-2-yl]ethanol is sourced from PubChem (CID 90916352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).