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

C10H16N4O2 — CID 136957537

IUPAC4-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESO=c1cc(N2CCN(CCO)CC2)nc[nH]1
InChIInChI=1S/C10H16N4O2/c15-6-5-13-1-3-14(4-2-13)9-7-10(16)12-8-11-9/h7-8,15H,1-6H2,(H,11,12,16)
InChIKeyOFIXPKFMBPXWAN-UHFFFAOYSA-N
MW224.26 g/mol
LogP-1.12
Rot. Bonds3

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

4-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136957537) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-pyrimidin-6-one
PubChem CID136957537
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name4-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESO=c1cc(N2CCN(CCO)CC2)nc[nH]1
InChIInChI=1S/C10H16N4O2/c15-6-5-13-1-3-14(4-2-13)9-7-10(16)12-8-11-9/h7-8,15H,1-6H2,(H,11,12,16)
InChIKeyOFIXPKFMBPXWAN-UHFFFAOYSA-N
XLogP-1.12
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-pyrimidin-6-one (CID 136957537) is 4-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-pyrimidin-6-one is O=c1cc(N2CCN(CCO)CC2)nc[nH]1.
What is the InChIKey of 4-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is OFIXPKFMBPXWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c15-6-5-13-1-3-14(4-2-13)9-7-10(16)12-8-11-9/h7-8,15H,1-6H2,(H,11,12,16).
What are the key properties of 4-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-pyrimidin-6-one?
4-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 224.26 g/mol, XLogP of -1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136957537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).