2-(4-acetylpiperazin-1-yl)-5-amino-1H-pyrimidin-6-one

C10H15N5O2 — CID 54052202

IUPAC2-(4-acetylpiperazin-1-yl)-5-amino-1H-pyrimidin-6-one
SMILESCC(=O)N1CCN(c2ncc(N)c(=O)[nH]2)CC1
InChIInChI=1S/C10H15N5O2/c1-7(16)14-2-4-15(5-3-14)10-12-6-8(11)9(17)13-10/h6H,2-5,11H2,1H3,(H,12,13,17)
InChIKeyLTRRNRROKPJBNN-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.98
Rot. Bonds1

About 2-(4-acetylpiperazin-1-yl)-5-amino-1H-pyrimidin-6-one

2-(4-acetylpiperazin-1-yl)-5-amino-1H-pyrimidin-6-one (PubChem CID 54052202) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-5-amino-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-5-amino-1H-pyrimidin-6-one
PubChem CID54052202
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name2-(4-acetylpiperazin-1-yl)-5-amino-1H-pyrimidin-6-one
SMILESCC(=O)N1CCN(c2ncc(N)c(=O)[nH]2)CC1
InChIInChI=1S/C10H15N5O2/c1-7(16)14-2-4-15(5-3-14)10-12-6-8(11)9(17)13-10/h6H,2-5,11H2,1H3,(H,12,13,17)
InChIKeyLTRRNRROKPJBNN-UHFFFAOYSA-N
XLogP-0.98
TPSA95.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-5-amino-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-5-amino-1H-pyrimidin-6-one (CID 54052202) is 2-(4-acetylpiperazin-1-yl)-5-amino-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-5-amino-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-5-amino-1H-pyrimidin-6-one is CC(=O)N1CCN(c2ncc(N)c(=O)[nH]2)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-5-amino-1H-pyrimidin-6-one?
The InChIKey is LTRRNRROKPJBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-7(16)14-2-4-15(5-3-14)10-12-6-8(11)9(17)13-10/h6H,2-5,11H2,1H3,(H,12,13,17).
What are the key properties of 2-(4-acetylpiperazin-1-yl)-5-amino-1H-pyrimidin-6-one?
2-(4-acetylpiperazin-1-yl)-5-amino-1H-pyrimidin-6-one has a molecular weight of 237.26 g/mol, XLogP of -0.98, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-5-amino-1H-pyrimidin-6-one is sourced from PubChem (CID 54052202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).