6-(4-phenylpiperazin-1-yl)-5-propan-2-yl-1H-pyrimidine-2,4-dione

C17H22N4O2 — CID 86575317

IUPAC6-(4-phenylpiperazin-1-yl)-5-propan-2-yl-1H-pyrimidine-2,4-dione
SMILESCC(C)c1c(N2CCN(c3ccccc3)CC2)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C17H22N4O2/c1-12(2)14-15(18-17(23)19-16(14)22)21-10-8-20(9-11-21)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H2,18,19,22,23)
InChIKeyWQXCTMGLCMEGBD-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.51
Rot. Bonds3

About 6-(4-phenylpiperazin-1-yl)-5-propan-2-yl-1H-pyrimidine-2,4-dione

6-(4-phenylpiperazin-1-yl)-5-propan-2-yl-1H-pyrimidine-2,4-dione (PubChem CID 86575317) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 6-(4-phenylpiperazin-1-yl)-5-propan-2-yl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(4-phenylpiperazin-1-yl)-5-propan-2-yl-1H-pyrimidine-2,4-dione
PubChem CID86575317
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name6-(4-phenylpiperazin-1-yl)-5-propan-2-yl-1H-pyrimidine-2,4-dione
SMILESCC(C)c1c(N2CCN(c3ccccc3)CC2)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C17H22N4O2/c1-12(2)14-15(18-17(23)19-16(14)22)21-10-8-20(9-11-21)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H2,18,19,22,23)
InChIKeyWQXCTMGLCMEGBD-UHFFFAOYSA-N
XLogP1.51
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-phenylpiperazin-1-yl)-5-propan-2-yl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(4-phenylpiperazin-1-yl)-5-propan-2-yl-1H-pyrimidine-2,4-dione (CID 86575317) is 6-(4-phenylpiperazin-1-yl)-5-propan-2-yl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(4-phenylpiperazin-1-yl)-5-propan-2-yl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(4-phenylpiperazin-1-yl)-5-propan-2-yl-1H-pyrimidine-2,4-dione is CC(C)c1c(N2CCN(c3ccccc3)CC2)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-(4-phenylpiperazin-1-yl)-5-propan-2-yl-1H-pyrimidine-2,4-dione?
The InChIKey is WQXCTMGLCMEGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-12(2)14-15(18-17(23)19-16(14)22)21-10-8-20(9-11-21)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H2,18,19,22,23).
What are the key properties of 6-(4-phenylpiperazin-1-yl)-5-propan-2-yl-1H-pyrimidine-2,4-dione?
6-(4-phenylpiperazin-1-yl)-5-propan-2-yl-1H-pyrimidine-2,4-dione has a molecular weight of 314.39 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-phenylpiperazin-1-yl)-5-propan-2-yl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 86575317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).