4-(5-aminopyrimidin-4-yl)piperazin-2-one

C8H11N5O — CID 79910176

IUPAC4-(5-aminopyrimidin-4-yl)piperazin-2-one
SMILESNc1cncnc1N1CCNC(=O)C1
InChIInChI=1S/C8H11N5O/c9-6-3-10-5-12-8(6)13-2-1-11-7(14)4-13/h3,5H,1-2,4,9H2,(H,11,14)
InChIKeyXOVAWKQJGQSVBP-UHFFFAOYSA-N
MW193.21 g/mol
LogP-1.00
Rot. Bonds1

About 4-(5-aminopyrimidin-4-yl)piperazin-2-one

4-(5-aminopyrimidin-4-yl)piperazin-2-one (PubChem CID 79910176) has the molecular formula C8H11N5O and a molecular weight of 193.21 g/mol. Its IUPAC name is 4-(5-aminopyrimidin-4-yl)piperazin-2-one.

Molecular Properties

Compound Name4-(5-aminopyrimidin-4-yl)piperazin-2-one
PubChem CID79910176
Molecular FormulaC8H11N5O
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC Name4-(5-aminopyrimidin-4-yl)piperazin-2-one
SMILESNc1cncnc1N1CCNC(=O)C1
InChIInChI=1S/C8H11N5O/c9-6-3-10-5-12-8(6)13-2-1-11-7(14)4-13/h3,5H,1-2,4,9H2,(H,11,14)
InChIKeyXOVAWKQJGQSVBP-UHFFFAOYSA-N
XLogP-1.00
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-aminopyrimidin-4-yl)piperazin-2-one?
The IUPAC name of 4-(5-aminopyrimidin-4-yl)piperazin-2-one (CID 79910176) is 4-(5-aminopyrimidin-4-yl)piperazin-2-one.
What is the SMILES notation for 4-(5-aminopyrimidin-4-yl)piperazin-2-one?
The canonical SMILES for 4-(5-aminopyrimidin-4-yl)piperazin-2-one is Nc1cncnc1N1CCNC(=O)C1.
What is the InChIKey of 4-(5-aminopyrimidin-4-yl)piperazin-2-one?
The InChIKey is XOVAWKQJGQSVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O/c9-6-3-10-5-12-8(6)13-2-1-11-7(14)4-13/h3,5H,1-2,4,9H2,(H,11,14).
What are the key properties of 4-(5-aminopyrimidin-4-yl)piperazin-2-one?
4-(5-aminopyrimidin-4-yl)piperazin-2-one has a molecular weight of 193.21 g/mol, XLogP of -1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-aminopyrimidin-4-yl)piperazin-2-one is sourced from PubChem (CID 79910176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).