4-(5-fluoropyrimidin-2-yl)-3-propylpiperazin-2-one

C11H15FN4O — CID 75514582

IUPAC4-(5-fluoropyrimidin-2-yl)-3-propylpiperazin-2-one
SMILESCCCC1C(=O)NCCN1c1ncc(F)cn1
InChIInChI=1S/C11H15FN4O/c1-2-3-9-10(17)13-4-5-16(9)11-14-6-8(12)7-15-11/h6-7,9H,2-5H2,1H3,(H,13,17)
InChIKeyICMVHRDUHFKEJO-UHFFFAOYSA-N
MW238.27 g/mol
LogP0.72
Rot. Bonds3

About 4-(5-fluoropyrimidin-2-yl)-3-propylpiperazin-2-one

4-(5-fluoropyrimidin-2-yl)-3-propylpiperazin-2-one (PubChem CID 75514582) has the molecular formula C11H15FN4O and a molecular weight of 238.27 g/mol. Its IUPAC name is 4-(5-fluoropyrimidin-2-yl)-3-propylpiperazin-2-one.

Molecular Properties

Compound Name4-(5-fluoropyrimidin-2-yl)-3-propylpiperazin-2-one
PubChem CID75514582
Molecular FormulaC11H15FN4O
Molecular Weight238.27 g/mol
Exact Mass238.12
IUPAC Name4-(5-fluoropyrimidin-2-yl)-3-propylpiperazin-2-one
SMILESCCCC1C(=O)NCCN1c1ncc(F)cn1
InChIInChI=1S/C11H15FN4O/c1-2-3-9-10(17)13-4-5-16(9)11-14-6-8(12)7-15-11/h6-7,9H,2-5H2,1H3,(H,13,17)
InChIKeyICMVHRDUHFKEJO-UHFFFAOYSA-N
XLogP0.72
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoropyrimidin-2-yl)-3-propylpiperazin-2-one?
The IUPAC name of 4-(5-fluoropyrimidin-2-yl)-3-propylpiperazin-2-one (CID 75514582) is 4-(5-fluoropyrimidin-2-yl)-3-propylpiperazin-2-one.
What is the SMILES notation for 4-(5-fluoropyrimidin-2-yl)-3-propylpiperazin-2-one?
The canonical SMILES for 4-(5-fluoropyrimidin-2-yl)-3-propylpiperazin-2-one is CCCC1C(=O)NCCN1c1ncc(F)cn1.
What is the InChIKey of 4-(5-fluoropyrimidin-2-yl)-3-propylpiperazin-2-one?
The InChIKey is ICMVHRDUHFKEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN4O/c1-2-3-9-10(17)13-4-5-16(9)11-14-6-8(12)7-15-11/h6-7,9H,2-5H2,1H3,(H,13,17).
What are the key properties of 4-(5-fluoropyrimidin-2-yl)-3-propylpiperazin-2-one?
4-(5-fluoropyrimidin-2-yl)-3-propylpiperazin-2-one has a molecular weight of 238.27 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoropyrimidin-2-yl)-3-propylpiperazin-2-one is sourced from PubChem (CID 75514582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).