4-(3-acetylpiperidin-1-yl)-5-amino-1H-pyrimidin-6-one

C11H16N4O2 — CID 136973292

IUPAC4-(3-acetylpiperidin-1-yl)-5-amino-1H-pyrimidin-6-one
SMILESCC(=O)C1CCCN(c2nc[nH]c(=O)c2N)C1
InChIInChI=1S/C11H16N4O2/c1-7(16)8-3-2-4-15(5-8)10-9(12)11(17)14-6-13-10/h6,8H,2-5,12H2,1H3,(H,13,14,17)
InChIKeyMSRCYWHWXXUOOB-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.16
Rot. Bonds2

About 4-(3-acetylpiperidin-1-yl)-5-amino-1H-pyrimidin-6-one

4-(3-acetylpiperidin-1-yl)-5-amino-1H-pyrimidin-6-one (PubChem CID 136973292) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-(3-acetylpiperidin-1-yl)-5-amino-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-acetylpiperidin-1-yl)-5-amino-1H-pyrimidin-6-one
PubChem CID136973292
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name4-(3-acetylpiperidin-1-yl)-5-amino-1H-pyrimidin-6-one
SMILESCC(=O)C1CCCN(c2nc[nH]c(=O)c2N)C1
InChIInChI=1S/C11H16N4O2/c1-7(16)8-3-2-4-15(5-8)10-9(12)11(17)14-6-13-10/h6,8H,2-5,12H2,1H3,(H,13,14,17)
InChIKeyMSRCYWHWXXUOOB-UHFFFAOYSA-N
XLogP0.16
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-4-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 135568286
5-amino-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 135568288
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 136687972
5-amino-4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136731876
N-[[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
CID 136792778
5-amino-4-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-1H-pyrimidin-6-one
CID 136869158
5-amino-4-[2-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrimidin-6-one
CID 136948246
5-amino-4-[3-(1-aminoethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136958187
5-amino-4-[3-[1-(propylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one
CID 136958194
5-amino-4-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one
CID 136958199
5-amino-4-[3-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one
CID 136958206
5-amino-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one
CID 136973282

Frequently Asked Questions

What is the IUPAC name of 4-(3-acetylpiperidin-1-yl)-5-amino-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-acetylpiperidin-1-yl)-5-amino-1H-pyrimidin-6-one (CID 136973292) is 4-(3-acetylpiperidin-1-yl)-5-amino-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-acetylpiperidin-1-yl)-5-amino-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-acetylpiperidin-1-yl)-5-amino-1H-pyrimidin-6-one is CC(=O)C1CCCN(c2nc[nH]c(=O)c2N)C1.
What is the InChIKey of 4-(3-acetylpiperidin-1-yl)-5-amino-1H-pyrimidin-6-one?
The InChIKey is MSRCYWHWXXUOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-7(16)8-3-2-4-15(5-8)10-9(12)11(17)14-6-13-10/h6,8H,2-5,12H2,1H3,(H,13,14,17).
What are the key properties of 4-(3-acetylpiperidin-1-yl)-5-amino-1H-pyrimidin-6-one?
4-(3-acetylpiperidin-1-yl)-5-amino-1H-pyrimidin-6-one has a molecular weight of 236.27 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-acetylpiperidin-1-yl)-5-amino-1H-pyrimidin-6-one is sourced from PubChem (CID 136973292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).