5-ethyl-1-(2-piperazin-1-ylethyl)pyrimidine-2,4-dione

C12H20N4O2 — CID 66329123

IUPAC5-ethyl-1-(2-piperazin-1-ylethyl)pyrimidine-2,4-dione
SMILESCCc1cn(CCN2CCNCC2)c(=O)[nH]c1=O
InChIInChI=1S/C12H20N4O2/c1-2-10-9-16(12(18)14-11(10)17)8-7-15-5-3-13-4-6-15/h9,13H,2-8H2,1H3,(H,14,17,18)
InChIKeyMXOQRMKFIWIZBR-UHFFFAOYSA-N
MW252.32 g/mol
LogP-1.00
Rot. Bonds4

About 5-ethyl-1-(2-piperazin-1-ylethyl)pyrimidine-2,4-dione

5-ethyl-1-(2-piperazin-1-ylethyl)pyrimidine-2,4-dione (PubChem CID 66329123) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 5-ethyl-1-(2-piperazin-1-ylethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-1-(2-piperazin-1-ylethyl)pyrimidine-2,4-dione
PubChem CID66329123
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name5-ethyl-1-(2-piperazin-1-ylethyl)pyrimidine-2,4-dione
SMILESCCc1cn(CCN2CCNCC2)c(=O)[nH]c1=O
InChIInChI=1S/C12H20N4O2/c1-2-10-9-16(12(18)14-11(10)17)8-7-15-5-3-13-4-6-15/h9,13H,2-8H2,1H3,(H,14,17,18)
InChIKeyMXOQRMKFIWIZBR-UHFFFAOYSA-N
XLogP-1.00
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-N-hexyl-2,4-dioxopyrimidine-1-carboxamide
CID 71654884
5-Methyl-1-[4-(4-methyl-piperazin-1-yl)-but-2-enyl]-1H-pyrimidine-2,4-dione
CID 44333437
N-(2-Aminoethyl)-2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamide
CID 4264356
a-Putrescinylthymine
CID 129679297
1-[2-(3-ethylpiperazin-1-yl)-2-oxoethyl]-5-methylpyrimidine-2,4(1H,3H)-dione
CID 56705900
N-methyl-N-[2-(methylamino)ethyl]-2-(3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetamide
CID 91794706
5-(4-Methylpiperazinomethyl)uracil
CID 15031088
m-Piperidinyl thymine
CID 51050595
5-Ethyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyrimidine-2,4-dione
CID 66328155
1-[3-[3-(3-Aminopropylamino)propylamino]propyl]-5-methylpyrimidine-2,4-dione
CID 70682145
5-[[2-(dimethylamino)ethylamino]methyl]-1H-pyrimidine-2,4-dione;hydrobromide
CID 54610690
5-(piperazin-1-ylmethyl)pyrimidine-2,4(1H,3H)-dione dihydrochloride
CID 71308048

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(2-piperazin-1-ylethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-ethyl-1-(2-piperazin-1-ylethyl)pyrimidine-2,4-dione (CID 66329123) is 5-ethyl-1-(2-piperazin-1-ylethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-ethyl-1-(2-piperazin-1-ylethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-ethyl-1-(2-piperazin-1-ylethyl)pyrimidine-2,4-dione is CCc1cn(CCN2CCNCC2)c(=O)[nH]c1=O.
What is the InChIKey of 5-ethyl-1-(2-piperazin-1-ylethyl)pyrimidine-2,4-dione?
The InChIKey is MXOQRMKFIWIZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-2-10-9-16(12(18)14-11(10)17)8-7-15-5-3-13-4-6-15/h9,13H,2-8H2,1H3,(H,14,17,18).
What are the key properties of 5-ethyl-1-(2-piperazin-1-ylethyl)pyrimidine-2,4-dione?
5-ethyl-1-(2-piperazin-1-ylethyl)pyrimidine-2,4-dione has a molecular weight of 252.32 g/mol, XLogP of -1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(2-piperazin-1-ylethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 66329123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).