2-amino-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one

C9H13N5O2 — CID 82509518

IUPAC2-amino-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one
SMILESNc1ncc(C(=O)N2CCNCC2)c(=O)[nH]1
InChIInChI=1S/C9H13N5O2/c10-9-12-5-6(7(15)13-9)8(16)14-3-1-11-2-4-14/h5,11H,1-4H2,(H3,10,12,13,15)
InChIKeyGKLIEUDNVGUSOD-UHFFFAOYSA-N
MW223.24 g/mol
LogP-1.60
Rot. Bonds1

About 2-amino-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one

2-amino-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one (PubChem CID 82509518) has the molecular formula C9H13N5O2 and a molecular weight of 223.24 g/mol. Its IUPAC name is 2-amino-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one
PubChem CID82509518
Molecular FormulaC9H13N5O2
Molecular Weight223.24 g/mol
Exact Mass223.11
IUPAC Name2-amino-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one
SMILESNc1ncc(C(=O)N2CCNCC2)c(=O)[nH]1
InChIInChI=1S/C9H13N5O2/c10-9-12-5-6(7(15)13-9)8(16)14-3-1-11-2-4-14/h5,11H,1-4H2,(H3,10,12,13,15)
InChIKeyGKLIEUDNVGUSOD-UHFFFAOYSA-N
XLogP-1.60
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 5-1.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one (CID 82509518) is 2-amino-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one is Nc1ncc(C(=O)N2CCNCC2)c(=O)[nH]1.
What is the InChIKey of 2-amino-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one?
The InChIKey is GKLIEUDNVGUSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2/c10-9-12-5-6(7(15)13-9)8(16)14-3-1-11-2-4-14/h5,11H,1-4H2,(H3,10,12,13,15).
What are the key properties of 2-amino-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one?
2-amino-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one has a molecular weight of 223.24 g/mol, XLogP of -1.60, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 82509518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).