2-(1,4-dimethylpiperazin-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one

C13H22N4O2 — CID 79658795

IUPAC2-(1,4-dimethylpiperazin-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(C2CN(C)CCN2C)[nH]c1=O
InChIInChI=1S/C13H22N4O2/c1-4-5-9-12(18)14-11(15-13(9)19)10-8-16(2)6-7-17(10)3/h10H,4-8H2,1-3H3,(H2,14,15,18,19)
InChIKeyHOAHIJDJYMITQJ-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.35
Rot. Bonds3

About 2-(1,4-dimethylpiperazin-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one

2-(1,4-dimethylpiperazin-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one (PubChem CID 79658795) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(1,4-dimethylpiperazin-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1,4-dimethylpiperazin-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
PubChem CID79658795
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name2-(1,4-dimethylpiperazin-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(C2CN(C)CCN2C)[nH]c1=O
InChIInChI=1S/C13H22N4O2/c1-4-5-9-12(18)14-11(15-13(9)19)10-8-16(2)6-7-17(10)3/h10H,4-8H2,1-3H3,(H2,14,15,18,19)
InChIKeyHOAHIJDJYMITQJ-UHFFFAOYSA-N
XLogP0.35
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dimethylpiperazin-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(1,4-dimethylpiperazin-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one (CID 79658795) is 2-(1,4-dimethylpiperazin-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1,4-dimethylpiperazin-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1,4-dimethylpiperazin-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one is CCCc1c(O)nc(C2CN(C)CCN2C)[nH]c1=O.
What is the InChIKey of 2-(1,4-dimethylpiperazin-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The InChIKey is HOAHIJDJYMITQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-4-5-9-12(18)14-11(15-13(9)19)10-8-16(2)6-7-17(10)3/h10H,4-8H2,1-3H3,(H2,14,15,18,19).
What are the key properties of 2-(1,4-dimethylpiperazin-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
2-(1,4-dimethylpiperazin-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one has a molecular weight of 266.34 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dimethylpiperazin-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 79658795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).