6-(4-ethylpiperazin-1-yl)-5-propyl-1H-pyrimidine-2,4-dione

C13H22N4O2 — CID 86575297

IUPAC6-(4-ethylpiperazin-1-yl)-5-propyl-1H-pyrimidine-2,4-dione
SMILESCCCc1c(N2CCN(CC)CC2)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C13H22N4O2/c1-3-5-10-11(14-13(19)15-12(10)18)17-8-6-16(4-2)7-9-17/h3-9H2,1-2H3,(H2,14,15,18,19)
InChIKeySNLJWKYAXCSWSO-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.16
Rot. Bonds4

About 6-(4-ethylpiperazin-1-yl)-5-propyl-1H-pyrimidine-2,4-dione

6-(4-ethylpiperazin-1-yl)-5-propyl-1H-pyrimidine-2,4-dione (PubChem CID 86575297) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 6-(4-ethylpiperazin-1-yl)-5-propyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(4-ethylpiperazin-1-yl)-5-propyl-1H-pyrimidine-2,4-dione
PubChem CID86575297
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name6-(4-ethylpiperazin-1-yl)-5-propyl-1H-pyrimidine-2,4-dione
SMILESCCCc1c(N2CCN(CC)CC2)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C13H22N4O2/c1-3-5-10-11(14-13(19)15-12(10)18)17-8-6-16(4-2)7-9-17/h3-9H2,1-2H3,(H2,14,15,18,19)
InChIKeySNLJWKYAXCSWSO-UHFFFAOYSA-N
XLogP0.16
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylpiperazin-1-yl)-5-propyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(4-ethylpiperazin-1-yl)-5-propyl-1H-pyrimidine-2,4-dione (CID 86575297) is 6-(4-ethylpiperazin-1-yl)-5-propyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(4-ethylpiperazin-1-yl)-5-propyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(4-ethylpiperazin-1-yl)-5-propyl-1H-pyrimidine-2,4-dione is CCCc1c(N2CCN(CC)CC2)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-(4-ethylpiperazin-1-yl)-5-propyl-1H-pyrimidine-2,4-dione?
The InChIKey is SNLJWKYAXCSWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-3-5-10-11(14-13(19)15-12(10)18)17-8-6-16(4-2)7-9-17/h3-9H2,1-2H3,(H2,14,15,18,19).
What are the key properties of 6-(4-ethylpiperazin-1-yl)-5-propyl-1H-pyrimidine-2,4-dione?
6-(4-ethylpiperazin-1-yl)-5-propyl-1H-pyrimidine-2,4-dione has a molecular weight of 266.34 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylpiperazin-1-yl)-5-propyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 86575297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).