4-hydroxy-2-(1-piperazin-1-ylethyl)-5-propan-2-yl-1H-pyrimidin-6-one

C13H22N4O2 — CID 63553746

IUPAC4-hydroxy-2-(1-piperazin-1-ylethyl)-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1c(O)nc(C(C)N2CCNCC2)[nH]c1=O
InChIInChI=1S/C13H22N4O2/c1-8(2)10-12(18)15-11(16-13(10)19)9(3)17-6-4-14-5-7-17/h8-9,14H,4-7H2,1-3H3,(H2,15,16,18,19)
InChIKeyAMBLPXWNFQBPOT-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.57
Rot. Bonds3

About 4-hydroxy-2-(1-piperazin-1-ylethyl)-5-propan-2-yl-1H-pyrimidin-6-one

4-hydroxy-2-(1-piperazin-1-ylethyl)-5-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 63553746) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-hydroxy-2-(1-piperazin-1-ylethyl)-5-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(1-piperazin-1-ylethyl)-5-propan-2-yl-1H-pyrimidin-6-one
PubChem CID63553746
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name4-hydroxy-2-(1-piperazin-1-ylethyl)-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1c(O)nc(C(C)N2CCNCC2)[nH]c1=O
InChIInChI=1S/C13H22N4O2/c1-8(2)10-12(18)15-11(16-13(10)19)9(3)17-6-4-14-5-7-17/h8-9,14H,4-7H2,1-3H3,(H2,15,16,18,19)
InChIKeyAMBLPXWNFQBPOT-UHFFFAOYSA-N
XLogP0.57
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(1-piperazin-1-ylethyl)-5-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(1-piperazin-1-ylethyl)-5-propan-2-yl-1H-pyrimidin-6-one (CID 63553746) is 4-hydroxy-2-(1-piperazin-1-ylethyl)-5-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(1-piperazin-1-ylethyl)-5-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(1-piperazin-1-ylethyl)-5-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1c(O)nc(C(C)N2CCNCC2)[nH]c1=O.
What is the InChIKey of 4-hydroxy-2-(1-piperazin-1-ylethyl)-5-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is AMBLPXWNFQBPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-8(2)10-12(18)15-11(16-13(10)19)9(3)17-6-4-14-5-7-17/h8-9,14H,4-7H2,1-3H3,(H2,15,16,18,19).
What are the key properties of 4-hydroxy-2-(1-piperazin-1-ylethyl)-5-propan-2-yl-1H-pyrimidin-6-one?
4-hydroxy-2-(1-piperazin-1-ylethyl)-5-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 266.34 g/mol, XLogP of 0.57, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(1-piperazin-1-ylethyl)-5-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 63553746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).