2-amino-6-piperazin-1-yl-5H-pyrimidin-4-one

C8H13N5O — CID 71772930

IUPAC2-amino-6-piperazin-1-yl-5H-pyrimidin-4-one
SMILESNC1=NC(=O)CC(N2CCNCC2)=N1
InChIInChI=1S/C8H13N5O/c9-8-11-6(5-7(14)12-8)13-3-1-10-2-4-13/h10H,1-5H2,(H2,9,12,14)
InChIKeyPYRGEXMLVQACKZ-UHFFFAOYSA-N
MW195.23 g/mol
LogP-1.46
Rot. Bonds

About 2-amino-6-piperazin-1-yl-5H-pyrimidin-4-one

2-amino-6-piperazin-1-yl-5H-pyrimidin-4-one (PubChem CID 71772930) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is 2-amino-6-piperazin-1-yl-5H-pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-piperazin-1-yl-5H-pyrimidin-4-one
PubChem CID71772930
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Name2-amino-6-piperazin-1-yl-5H-pyrimidin-4-one
SMILESNC1=NC(=O)CC(N2CCNCC2)=N1
InChIInChI=1S/C8H13N5O/c9-8-11-6(5-7(14)12-8)13-3-1-10-2-4-13/h10H,1-5H2,(H2,9,12,14)
InChIKeyPYRGEXMLVQACKZ-UHFFFAOYSA-N
XLogP-1.46
TPSA83.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 5-1.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-piperazin-1-yl-5H-pyrimidin-4-one?
The IUPAC name of 2-amino-6-piperazin-1-yl-5H-pyrimidin-4-one (CID 71772930) is 2-amino-6-piperazin-1-yl-5H-pyrimidin-4-one.
What is the SMILES notation for 2-amino-6-piperazin-1-yl-5H-pyrimidin-4-one?
The canonical SMILES for 2-amino-6-piperazin-1-yl-5H-pyrimidin-4-one is NC1=NC(=O)CC(N2CCNCC2)=N1.
What is the InChIKey of 2-amino-6-piperazin-1-yl-5H-pyrimidin-4-one?
The InChIKey is PYRGEXMLVQACKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O/c9-8-11-6(5-7(14)12-8)13-3-1-10-2-4-13/h10H,1-5H2,(H2,9,12,14).
What are the key properties of 2-amino-6-piperazin-1-yl-5H-pyrimidin-4-one?
2-amino-6-piperazin-1-yl-5H-pyrimidin-4-one has a molecular weight of 195.23 g/mol, XLogP of -1.46, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-piperazin-1-yl-5H-pyrimidin-4-one is sourced from PubChem (CID 71772930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).