6-(4-ethylpiperazin-1-yl)-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione

C17H21FN4O2 — CID 7080709

IUPAC6-(4-ethylpiperazin-1-yl)-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione
SMILESCCN1CCN(c2cc(=O)n(Cc3ccc(F)cc3)c(=O)[nH]2)CC1
InChIInChI=1S/C17H21FN4O2/c1-2-20-7-9-21(10-8-20)15-11-16(23)22(17(24)19-15)12-13-3-5-14(18)6-4-13/h3-6,11H,2,7-10,12H2,1H3,(H,19,24)
InChIKeyWAQBAPIKVCDCOB-UHFFFAOYSA-N
MW332.38 g/mol
LogP0.87
Rot. Bonds4

About 6-(4-ethylpiperazin-1-yl)-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione

6-(4-ethylpiperazin-1-yl)-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione (PubChem CID 7080709) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is 6-(4-ethylpiperazin-1-yl)-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(4-ethylpiperazin-1-yl)-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione
PubChem CID7080709
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC Name6-(4-ethylpiperazin-1-yl)-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione
SMILESCCN1CCN(c2cc(=O)n(Cc3ccc(F)cc3)c(=O)[nH]2)CC1
InChIInChI=1S/C17H21FN4O2/c1-2-20-7-9-21(10-8-20)15-11-16(23)22(17(24)19-15)12-13-3-5-14(18)6-4-13/h3-6,11H,2,7-10,12H2,1H3,(H,19,24)
InChIKeyWAQBAPIKVCDCOB-UHFFFAOYSA-N
XLogP0.87
TPSA61.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylpiperazin-1-yl)-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(4-ethylpiperazin-1-yl)-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione (CID 7080709) is 6-(4-ethylpiperazin-1-yl)-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(4-ethylpiperazin-1-yl)-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(4-ethylpiperazin-1-yl)-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione is CCN1CCN(c2cc(=O)n(Cc3ccc(F)cc3)c(=O)[nH]2)CC1.
What is the InChIKey of 6-(4-ethylpiperazin-1-yl)-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is WAQBAPIKVCDCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2/c1-2-20-7-9-21(10-8-20)15-11-16(23)22(17(24)19-15)12-13-3-5-14(18)6-4-13/h3-6,11H,2,7-10,12H2,1H3,(H,19,24).
What are the key properties of 6-(4-ethylpiperazin-1-yl)-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione?
6-(4-ethylpiperazin-1-yl)-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 332.38 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylpiperazin-1-yl)-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 7080709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).