2-ethyl-4-(4-ethylpiperazin-1-yl)-1H-pyrimidin-6-one

C12H20N4O — CID 136989887

IUPAC2-ethyl-4-(4-ethylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCCc1nc(N2CCN(CC)CC2)cc(=O)[nH]1
InChIInChI=1S/C12H20N4O/c1-3-10-13-11(9-12(17)14-10)16-7-5-15(4-2)6-8-16/h9H,3-8H2,1-2H3,(H,13,14,17)
InChIKeyRRJRSDMHFAYWIV-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.47
Rot. Bonds3

About 2-ethyl-4-(4-ethylpiperazin-1-yl)-1H-pyrimidin-6-one

2-ethyl-4-(4-ethylpiperazin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136989887) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-ethyl-4-(4-ethylpiperazin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-(4-ethylpiperazin-1-yl)-1H-pyrimidin-6-one
PubChem CID136989887
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-ethyl-4-(4-ethylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCCc1nc(N2CCN(CC)CC2)cc(=O)[nH]1
InChIInChI=1S/C12H20N4O/c1-3-10-13-11(9-12(17)14-10)16-7-5-15(4-2)6-8-16/h9H,3-8H2,1-2H3,(H,13,14,17)
InChIKeyRRJRSDMHFAYWIV-UHFFFAOYSA-N
XLogP0.47
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 137008951
2-ethyl-4-[4-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136958171
2-ethyl-4-(4-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 137009116
2-ethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009557
2-[4-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]propanoic acid
CID 136958753
2-ethyl-4-[4-(methylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136977975
4-[4-(1-aminopentan-2-yl)piperazin-1-yl]-2-ethyl-1H-pyrimidin-6-one
CID 136972852
4-[3-(aminomethyl)azetidin-1-yl]-2-ethyl-1H-pyrimidin-6-one
CID 137008600
4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-ethyl-1H-pyrimidin-6-one
CID 136989428
2-ethyl-4-(3-propylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 137009914
4-(2,2-dimethylmorpholin-4-yl)-2-ethyl-1H-pyrimidin-6-one
CID 137009203
2-ethyl-4-(3-hydroxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136749164

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(4-ethylpiperazin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-(4-ethylpiperazin-1-yl)-1H-pyrimidin-6-one (CID 136989887) is 2-ethyl-4-(4-ethylpiperazin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-(4-ethylpiperazin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-(4-ethylpiperazin-1-yl)-1H-pyrimidin-6-one is CCc1nc(N2CCN(CC)CC2)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-(4-ethylpiperazin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is RRJRSDMHFAYWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-10-13-11(9-12(17)14-10)16-7-5-15(4-2)6-8-16/h9H,3-8H2,1-2H3,(H,13,14,17).
What are the key properties of 2-ethyl-4-(4-ethylpiperazin-1-yl)-1H-pyrimidin-6-one?
2-ethyl-4-(4-ethylpiperazin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 236.32 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(4-ethylpiperazin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136989887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).