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

C14H24N4O2 — CID 63554295

IUPAC4-hydroxy-2-(1-piperazin-1-ylpropyl)-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCCC(c1nc(O)c(C(C)C)c(=O)[nH]1)N1CCNCC1
InChIInChI=1S/C14H24N4O2/c1-4-10(18-7-5-15-6-8-18)12-16-13(19)11(9(2)3)14(20)17-12/h9-10,15H,4-8H2,1-3H3,(H2,16,17,19,20)
InChIKeyULOJYILPWWDVEX-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.96
Rot. Bonds4

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

4-hydroxy-2-(1-piperazin-1-ylpropyl)-5-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 63554295) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-hydroxy-2-(1-piperazin-1-ylpropyl)-5-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(1-piperazin-1-ylpropyl)-5-propan-2-yl-1H-pyrimidin-6-one
PubChem CID63554295
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name4-hydroxy-2-(1-piperazin-1-ylpropyl)-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCCC(c1nc(O)c(C(C)C)c(=O)[nH]1)N1CCNCC1
InChIInChI=1S/C14H24N4O2/c1-4-10(18-7-5-15-6-8-18)12-16-13(19)11(9(2)3)14(20)17-12/h9-10,15H,4-8H2,1-3H3,(H2,16,17,19,20)
InChIKeyULOJYILPWWDVEX-UHFFFAOYSA-N
XLogP0.96
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.96
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-ylpropyl)-5-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(1-piperazin-1-ylpropyl)-5-propan-2-yl-1H-pyrimidin-6-one (CID 63554295) is 4-hydroxy-2-(1-piperazin-1-ylpropyl)-5-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(1-piperazin-1-ylpropyl)-5-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(1-piperazin-1-ylpropyl)-5-propan-2-yl-1H-pyrimidin-6-one is CCC(c1nc(O)c(C(C)C)c(=O)[nH]1)N1CCNCC1.
What is the InChIKey of 4-hydroxy-2-(1-piperazin-1-ylpropyl)-5-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is ULOJYILPWWDVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-4-10(18-7-5-15-6-8-18)12-16-13(19)11(9(2)3)14(20)17-12/h9-10,15H,4-8H2,1-3H3,(H2,16,17,19,20).
What are the key properties of 4-hydroxy-2-(1-piperazin-1-ylpropyl)-5-propan-2-yl-1H-pyrimidin-6-one?
4-hydroxy-2-(1-piperazin-1-ylpropyl)-5-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 280.37 g/mol, XLogP of 0.96, 4 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-ylpropyl)-5-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 63554295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).