6-[(4-benzylpiperazin-1-yl)methyl]-1H-pyrimidine-2,4-dione

C16H20N4O2 — CID 10661952

IUPAC6-[(4-benzylpiperazin-1-yl)methyl]-1H-pyrimidine-2,4-dione
SMILESO=c1cc(CN2CCN(Cc3ccccc3)CC2)[nH]c(=O)[nH]1
InChIInChI=1S/C16H20N4O2/c21-15-10-14(17-16(22)18-15)12-20-8-6-19(7-9-20)11-13-4-2-1-3-5-13/h1-5,10H,6-9,11-12H2,(H2,17,18,21,22)
InChIKeyWCUSJKHGSLJSCH-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.38
Rot. Bonds4

About 6-[(4-benzylpiperazin-1-yl)methyl]-1H-pyrimidine-2,4-dione

6-[(4-benzylpiperazin-1-yl)methyl]-1H-pyrimidine-2,4-dione (PubChem CID 10661952) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 6-[(4-benzylpiperazin-1-yl)methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(4-benzylpiperazin-1-yl)methyl]-1H-pyrimidine-2,4-dione
PubChem CID10661952
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name6-[(4-benzylpiperazin-1-yl)methyl]-1H-pyrimidine-2,4-dione
SMILESO=c1cc(CN2CCN(Cc3ccccc3)CC2)[nH]c(=O)[nH]1
InChIInChI=1S/C16H20N4O2/c21-15-10-14(17-16(22)18-15)12-20-8-6-19(7-9-20)11-13-4-2-1-3-5-13/h1-5,10H,6-9,11-12H2,(H2,17,18,21,22)
InChIKeyWCUSJKHGSLJSCH-UHFFFAOYSA-N
XLogP0.38
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-benzylpiperazin-1-yl)methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[(4-benzylpiperazin-1-yl)methyl]-1H-pyrimidine-2,4-dione (CID 10661952) is 6-[(4-benzylpiperazin-1-yl)methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[(4-benzylpiperazin-1-yl)methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[(4-benzylpiperazin-1-yl)methyl]-1H-pyrimidine-2,4-dione is O=c1cc(CN2CCN(Cc3ccccc3)CC2)[nH]c(=O)[nH]1.
What is the InChIKey of 6-[(4-benzylpiperazin-1-yl)methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is WCUSJKHGSLJSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c21-15-10-14(17-16(22)18-15)12-20-8-6-19(7-9-20)11-13-4-2-1-3-5-13/h1-5,10H,6-9,11-12H2,(H2,17,18,21,22).
What are the key properties of 6-[(4-benzylpiperazin-1-yl)methyl]-1H-pyrimidine-2,4-dione?
6-[(4-benzylpiperazin-1-yl)methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 300.36 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-benzylpiperazin-1-yl)methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 10661952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).