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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Related Compounds

5-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione
CID 651501
4(1H)-Pyrimidinone, 5-(4-methyl-1-piperazinyl)-
CID 3073824
7-(dimethylamino)-3-fluoro-9H-pyrimido[1,2-a]pyrimidine-2,8-dione
CID 123267416
N,N-diethyl-2-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide
CID 136673297
N,N-diethyl-4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazine-1-carboxamide
CID 136816497
methyl 4-(6-oxo-1H-pyrimidin-2-yl)piperazine-1-carboxylate
CID 10879173
2-(4-acetylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 101705350
2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 1404181
2-amino-5-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 18432582
5-amino-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 20276628
1-(5-amino-6-oxo-1H-pyrimidin-2-yl)-3-methylurea
CID 20276633
5-amino-2-[bis(prop-2-enyl)amino]-1H-pyrimidin-6-one
CID 20276664

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).