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

C13H22N4O2 — CID 79658874

IUPAC2-(1,4-dimethylpiperazin-2-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1c(O)nc(C2CN(C)CCN2C)[nH]c1=O
InChIInChI=1S/C13H22N4O2/c1-8(2)10-12(18)14-11(15-13(10)19)9-7-16(3)5-6-17(9)4/h8-9H,5-7H2,1-4H3,(H2,14,15,18,19)
InChIKeyJVNFBLYSODYCLV-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.52
Rot. Bonds2

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

2-(1,4-dimethylpiperazin-2-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 79658874) 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-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1,4-dimethylpiperazin-2-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
PubChem CID79658874
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name2-(1,4-dimethylpiperazin-2-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1c(O)nc(C2CN(C)CCN2C)[nH]c1=O
InChIInChI=1S/C13H22N4O2/c1-8(2)10-12(18)14-11(15-13(10)19)9-7-16(3)5-6-17(9)4/h8-9H,5-7H2,1-4H3,(H2,14,15,18,19)
InChIKeyJVNFBLYSODYCLV-UHFFFAOYSA-N
XLogP0.52
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.52
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-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-(1,4-dimethylpiperazin-2-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one (CID 79658874) is 2-(1,4-dimethylpiperazin-2-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1,4-dimethylpiperazin-2-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1,4-dimethylpiperazin-2-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1c(O)nc(C2CN(C)CCN2C)[nH]c1=O.
What is the InChIKey of 2-(1,4-dimethylpiperazin-2-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is JVNFBLYSODYCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-8(2)10-12(18)14-11(15-13(10)19)9-7-16(3)5-6-17(9)4/h8-9H,5-7H2,1-4H3,(H2,14,15,18,19).
What are the key properties of 2-(1,4-dimethylpiperazin-2-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
2-(1,4-dimethylpiperazin-2-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 266.34 g/mol, XLogP of 0.52, 2 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-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 79658874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).