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

C11H16N4O2 — CID 136973310

IUPAC4-(2-acetylpiperidin-1-yl)-5-amino-1H-pyrimidin-6-one
SMILESCC(=O)C1CCCCN1c1nc[nH]c(=O)c1N
InChIInChI=1S/C11H16N4O2/c1-7(16)8-4-2-3-5-15(8)10-9(12)11(17)14-6-13-10/h6,8H,2-5,12H2,1H3,(H,13,14,17)
InChIKeyCFLPYHROTDJLPI-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.30
Rot. Bonds2

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

4-(2-acetylpiperidin-1-yl)-5-amino-1H-pyrimidin-6-one (PubChem CID 136973310) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-(2-acetylpiperidin-1-yl)-5-amino-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-acetylpiperidin-1-yl)-5-amino-1H-pyrimidin-6-one
PubChem CID136973310
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name4-(2-acetylpiperidin-1-yl)-5-amino-1H-pyrimidin-6-one
SMILESCC(=O)C1CCCCN1c1nc[nH]c(=O)c1N
InChIInChI=1S/C11H16N4O2/c1-7(16)8-4-2-3-5-15(8)10-9(12)11(17)14-6-13-10/h6,8H,2-5,12H2,1H3,(H,13,14,17)
InChIKeyCFLPYHROTDJLPI-UHFFFAOYSA-N
XLogP0.30
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 ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-Acetyl-2-methyl-3-(methylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 20671573
5-amino-4-(2-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 135568287
5-amino-4-(2-ethylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 135568289
5-amino-4-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 135575726
5-amino-4-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one
CID 136805296
5-amino-4-[ethyl(piperidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136805305
5-amino-4-[methyl(piperidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136805312
5-amino-4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one
CID 136805320
5-amino-4-[2-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one
CID 136958236
5-amino-4-[2-[1-(ethylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one
CID 136958243
5-amino-4-[2-[1-(propylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one
CID 136958250
5-amino-4-[2-(1-aminoethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136958255

Frequently Asked Questions

What is the IUPAC name of 4-(2-acetylpiperidin-1-yl)-5-amino-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-acetylpiperidin-1-yl)-5-amino-1H-pyrimidin-6-one (CID 136973310) is 4-(2-acetylpiperidin-1-yl)-5-amino-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-acetylpiperidin-1-yl)-5-amino-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-acetylpiperidin-1-yl)-5-amino-1H-pyrimidin-6-one is CC(=O)C1CCCCN1c1nc[nH]c(=O)c1N.
What is the InChIKey of 4-(2-acetylpiperidin-1-yl)-5-amino-1H-pyrimidin-6-one?
The InChIKey is CFLPYHROTDJLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-7(16)8-4-2-3-5-15(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-(2-acetylpiperidin-1-yl)-5-amino-1H-pyrimidin-6-one?
4-(2-acetylpiperidin-1-yl)-5-amino-1H-pyrimidin-6-one has a molecular weight of 236.27 g/mol, XLogP of 0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-acetylpiperidin-1-yl)-5-amino-1H-pyrimidin-6-one is sourced from PubChem (CID 136973310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).