1-cyclopentyl-4-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperazin-2-one

C15H22FN5O — CID 72902701

IUPAC1-cyclopentyl-4-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperazin-2-one
SMILESCN(C)c1nc(N2CCN(C3CCCC3)C(=O)C2)ncc1F
InChIInChI=1S/C15H22FN5O/c1-19(2)14-12(16)9-17-15(18-14)20-7-8-21(13(22)10-20)11-5-3-4-6-11/h9,11H,3-8,10H2,1-2H3
InChIKeyQLLHQBICAFIUPS-UHFFFAOYSA-N
MW307.37 g/mol
LogP1.27
Rot. Bonds3

About 1-cyclopentyl-4-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperazin-2-one

1-cyclopentyl-4-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperazin-2-one (PubChem CID 72902701) has the molecular formula C15H22FN5O and a molecular weight of 307.37 g/mol. Its IUPAC name is 1-cyclopentyl-4-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperazin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-4-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperazin-2-one
PubChem CID72902701
Molecular FormulaC15H22FN5O
Molecular Weight307.37 g/mol
Exact Mass307.18
IUPAC Name1-cyclopentyl-4-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperazin-2-one
SMILESCN(C)c1nc(N2CCN(C3CCCC3)C(=O)C2)ncc1F
InChIInChI=1S/C15H22FN5O/c1-19(2)14-12(16)9-17-15(18-14)20-7-8-21(13(22)10-20)11-5-3-4-6-11/h9,11H,3-8,10H2,1-2H3
InChIKeyQLLHQBICAFIUPS-UHFFFAOYSA-N
XLogP1.27
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperazin-2-one?
The IUPAC name of 1-cyclopentyl-4-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperazin-2-one (CID 72902701) is 1-cyclopentyl-4-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperazin-2-one.
What is the SMILES notation for 1-cyclopentyl-4-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperazin-2-one?
The canonical SMILES for 1-cyclopentyl-4-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperazin-2-one is CN(C)c1nc(N2CCN(C3CCCC3)C(=O)C2)ncc1F.
What is the InChIKey of 1-cyclopentyl-4-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperazin-2-one?
The InChIKey is QLLHQBICAFIUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN5O/c1-19(2)14-12(16)9-17-15(18-14)20-7-8-21(13(22)10-20)11-5-3-4-6-11/h9,11H,3-8,10H2,1-2H3.
What are the key properties of 1-cyclopentyl-4-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperazin-2-one?
1-cyclopentyl-4-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperazin-2-one has a molecular weight of 307.37 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperazin-2-one is sourced from PubChem (CID 72902701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).