4-(4-fluorophenyl)-1-[4-(4-methylpiperazin-1-yl)butyl]pyrimidin-2-one

C19H25FN4O — CID 67375116

IUPAC4-(4-fluorophenyl)-1-[4-(4-methylpiperazin-1-yl)butyl]pyrimidin-2-one
SMILESCN1CCN(CCCCn2ccc(-c3ccc(F)cc3)nc2=O)CC1
InChIInChI=1S/C19H25FN4O/c1-22-12-14-23(15-13-22)9-2-3-10-24-11-8-18(21-19(24)25)16-4-6-17(20)7-5-16/h4-8,11H,2-3,9-10,12-15H2,1H3
InChIKeyNETWTJGLVRNQEH-UHFFFAOYSA-N
MW344.43 g/mol
LogP2.08
Rot. Bonds6

About 4-(4-fluorophenyl)-1-[4-(4-methylpiperazin-1-yl)butyl]pyrimidin-2-one

4-(4-fluorophenyl)-1-[4-(4-methylpiperazin-1-yl)butyl]pyrimidin-2-one (PubChem CID 67375116) has the molecular formula C19H25FN4O and a molecular weight of 344.43 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-[4-(4-methylpiperazin-1-yl)butyl]pyrimidin-2-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-[4-(4-methylpiperazin-1-yl)butyl]pyrimidin-2-one
PubChem CID67375116
Molecular FormulaC19H25FN4O
Molecular Weight344.43 g/mol
Exact Mass344.20
IUPAC Name4-(4-fluorophenyl)-1-[4-(4-methylpiperazin-1-yl)butyl]pyrimidin-2-one
SMILESCN1CCN(CCCCn2ccc(-c3ccc(F)cc3)nc2=O)CC1
InChIInChI=1S/C19H25FN4O/c1-22-12-14-23(15-13-22)9-2-3-10-24-11-8-18(21-19(24)25)16-4-6-17(20)7-5-16/h4-8,11H,2-3,9-10,12-15H2,1H3
InChIKeyNETWTJGLVRNQEH-UHFFFAOYSA-N
XLogP2.08
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1-[4-(4-methylpiperazin-1-yl)butyl]pyrimidin-2-one?
The IUPAC name of 4-(4-fluorophenyl)-1-[4-(4-methylpiperazin-1-yl)butyl]pyrimidin-2-one (CID 67375116) is 4-(4-fluorophenyl)-1-[4-(4-methylpiperazin-1-yl)butyl]pyrimidin-2-one.
What is the SMILES notation for 4-(4-fluorophenyl)-1-[4-(4-methylpiperazin-1-yl)butyl]pyrimidin-2-one?
The canonical SMILES for 4-(4-fluorophenyl)-1-[4-(4-methylpiperazin-1-yl)butyl]pyrimidin-2-one is CN1CCN(CCCCn2ccc(-c3ccc(F)cc3)nc2=O)CC1.
What is the InChIKey of 4-(4-fluorophenyl)-1-[4-(4-methylpiperazin-1-yl)butyl]pyrimidin-2-one?
The InChIKey is NETWTJGLVRNQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O/c1-22-12-14-23(15-13-22)9-2-3-10-24-11-8-18(21-19(24)25)16-4-6-17(20)7-5-16/h4-8,11H,2-3,9-10,12-15H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-1-[4-(4-methylpiperazin-1-yl)butyl]pyrimidin-2-one?
4-(4-fluorophenyl)-1-[4-(4-methylpiperazin-1-yl)butyl]pyrimidin-2-one has a molecular weight of 344.43 g/mol, XLogP of 2.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1-[4-(4-methylpiperazin-1-yl)butyl]pyrimidin-2-one is sourced from PubChem (CID 67375116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).