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

C8H13N5O — CID 136958154

IUPAC5-amino-4-piperazin-1-yl-1H-pyrimidin-6-one
SMILESNc1c(N2CCNCC2)nc[nH]c1=O
InChIInChI=1S/C8H13N5O/c9-6-7(11-5-12-8(6)14)13-3-1-10-2-4-13/h5,10H,1-4,9H2,(H,11,12,14)
InChIKeyMPGCXCAOADEIET-UHFFFAOYSA-N
MW195.23 g/mol
LogP-1.24
Rot. Bonds1

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

5-amino-4-piperazin-1-yl-1H-pyrimidin-6-one (PubChem CID 136958154) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is 5-amino-4-piperazin-1-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-piperazin-1-yl-1H-pyrimidin-6-one
PubChem CID136958154
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Name5-amino-4-piperazin-1-yl-1H-pyrimidin-6-one
SMILESNc1c(N2CCNCC2)nc[nH]c1=O
InChIInChI=1S/C8H13N5O/c9-6-7(11-5-12-8(6)14)13-3-1-10-2-4-13/h5,10H,1-4,9H2,(H,11,12,14)
InChIKeyMPGCXCAOADEIET-UHFFFAOYSA-N
XLogP-1.24
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 5-1.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-piperazin-1-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-piperazin-1-yl-1H-pyrimidin-6-one (CID 136958154) is 5-amino-4-piperazin-1-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-piperazin-1-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-piperazin-1-yl-1H-pyrimidin-6-one is Nc1c(N2CCNCC2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-piperazin-1-yl-1H-pyrimidin-6-one?
The InChIKey is MPGCXCAOADEIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O/c9-6-7(11-5-12-8(6)14)13-3-1-10-2-4-13/h5,10H,1-4,9H2,(H,11,12,14).
What are the key properties of 5-amino-4-piperazin-1-yl-1H-pyrimidin-6-one?
5-amino-4-piperazin-1-yl-1H-pyrimidin-6-one has a molecular weight of 195.23 g/mol, XLogP of -1.24, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-piperazin-1-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136958154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).