5-ethyl-4-methyl-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one

C17H22N4O — CID 135491371

IUPAC5-ethyl-4-methyl-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCCc1c(C)nc(N2CCN(c3ccccc3)CC2)[nH]c1=O
InChIInChI=1S/C17H22N4O/c1-3-15-13(2)18-17(19-16(15)22)21-11-9-20(10-12-21)14-7-5-4-6-8-14/h4-8H,3,9-12H2,1-2H3,(H,18,19,22)
InChIKeyDGGYTHGYVXUWNV-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.97
Rot. Bonds3

About 5-ethyl-4-methyl-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one

5-ethyl-4-methyl-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one (PubChem CID 135491371) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 5-ethyl-4-methyl-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-4-methyl-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one
PubChem CID135491371
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name5-ethyl-4-methyl-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCCc1c(C)nc(N2CCN(c3ccccc3)CC2)[nH]c1=O
InChIInChI=1S/C17H22N4O/c1-3-15-13(2)18-17(19-16(15)22)21-11-9-20(10-12-21)14-7-5-4-6-8-14/h4-8H,3,9-12H2,1-2H3,(H,18,19,22)
InChIKeyDGGYTHGYVXUWNV-UHFFFAOYSA-N
XLogP1.97
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-4-methyl-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one (CID 135491371) is 5-ethyl-4-methyl-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-4-methyl-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-4-methyl-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one is CCc1c(C)nc(N2CCN(c3ccccc3)CC2)[nH]c1=O.
What is the InChIKey of 5-ethyl-4-methyl-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is DGGYTHGYVXUWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-3-15-13(2)18-17(19-16(15)22)21-11-9-20(10-12-21)14-7-5-4-6-8-14/h4-8H,3,9-12H2,1-2H3,(H,18,19,22).
What are the key properties of 5-ethyl-4-methyl-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one?
5-ethyl-4-methyl-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 298.39 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135491371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).