4-(2-amino-5-fluoropyrimidin-4-yl)piperazin-2-one

C8H10FN5O — CID 71138119

IUPAC4-(2-amino-5-fluoropyrimidin-4-yl)piperazin-2-one
SMILESNc1ncc(F)c(N2CCNC(=O)C2)n1
InChIInChI=1S/C8H10FN5O/c9-5-3-12-8(10)13-7(5)14-2-1-11-6(15)4-14/h3H,1-2,4H2,(H,11,15)(H2,10,12,13)
InChIKeyFPUZXENDRBGPSL-UHFFFAOYSA-N
MW211.20 g/mol
LogP-0.87
Rot. Bonds1

About 4-(2-amino-5-fluoropyrimidin-4-yl)piperazin-2-one

4-(2-amino-5-fluoropyrimidin-4-yl)piperazin-2-one (PubChem CID 71138119) has the molecular formula C8H10FN5O and a molecular weight of 211.20 g/mol. Its IUPAC name is 4-(2-amino-5-fluoropyrimidin-4-yl)piperazin-2-one.

Molecular Properties

Compound Name4-(2-amino-5-fluoropyrimidin-4-yl)piperazin-2-one
PubChem CID71138119
Molecular FormulaC8H10FN5O
Molecular Weight211.20 g/mol
Exact Mass211.09
IUPAC Name4-(2-amino-5-fluoropyrimidin-4-yl)piperazin-2-one
SMILESNc1ncc(F)c(N2CCNC(=O)C2)n1
InChIInChI=1S/C8H10FN5O/c9-5-3-12-8(10)13-7(5)14-2-1-11-6(15)4-14/h3H,1-2,4H2,(H,11,15)(H2,10,12,13)
InChIKeyFPUZXENDRBGPSL-UHFFFAOYSA-N
XLogP-0.87
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.20
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-5-fluoropyrimidin-4-yl)piperazin-2-one?
The IUPAC name of 4-(2-amino-5-fluoropyrimidin-4-yl)piperazin-2-one (CID 71138119) is 4-(2-amino-5-fluoropyrimidin-4-yl)piperazin-2-one.
What is the SMILES notation for 4-(2-amino-5-fluoropyrimidin-4-yl)piperazin-2-one?
The canonical SMILES for 4-(2-amino-5-fluoropyrimidin-4-yl)piperazin-2-one is Nc1ncc(F)c(N2CCNC(=O)C2)n1.
What is the InChIKey of 4-(2-amino-5-fluoropyrimidin-4-yl)piperazin-2-one?
The InChIKey is FPUZXENDRBGPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN5O/c9-5-3-12-8(10)13-7(5)14-2-1-11-6(15)4-14/h3H,1-2,4H2,(H,11,15)(H2,10,12,13).
What are the key properties of 4-(2-amino-5-fluoropyrimidin-4-yl)piperazin-2-one?
4-(2-amino-5-fluoropyrimidin-4-yl)piperazin-2-one has a molecular weight of 211.20 g/mol, XLogP of -0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-5-fluoropyrimidin-4-yl)piperazin-2-one is sourced from PubChem (CID 71138119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).