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

C9H12N4O2 — CID 136973282

IUPAC5-amino-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one
SMILESNc1c(N2CCC(=O)CC2)nc[nH]c1=O
InChIInChI=1S/C9H12N4O2/c10-7-8(11-5-12-9(7)15)13-3-1-6(14)2-4-13/h5H,1-4,10H2,(H,11,12,15)
InChIKeyJSOIJDLEMMWBKJ-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.48
Rot. Bonds1

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

5-amino-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136973282) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 5-amino-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136973282
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name5-amino-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one
SMILESNc1c(N2CCC(=O)CC2)nc[nH]c1=O
InChIInChI=1S/C9H12N4O2/c10-7-8(11-5-12-9(7)15)13-3-1-6(14)2-4-13/h5H,1-4,10H2,(H,11,12,15)
InChIKeyJSOIJDLEMMWBKJ-UHFFFAOYSA-N
XLogP-0.48
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-diamino-4-piperidin-1-yl-1H-pyrimidin-6-one
CID 135850741
4-amino-5-piperidin-1-yl-1H-pyrimidin-6-one
CID 136343863
2-Amino-5-methyl-6-propanoyl-3,6,7,8-tetrahydropteridin-4-one
CID 137287178
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-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one
CID 135568308
5-amino-4-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 135575726
5-amino-4-piperidin-1-yl-1H-pyrimidin-6-one
CID 135786489
5-amino-4-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 135786493
5,6-Diamino-2-(piperidin-1-yl)pyrimidin-4(1H)-one
CID 136261366
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

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one (CID 136973282) is 5-amino-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one is Nc1c(N2CCC(=O)CC2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is JSOIJDLEMMWBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c10-7-8(11-5-12-9(7)15)13-3-1-6(14)2-4-13/h5H,1-4,10H2,(H,11,12,15).
What are the key properties of 5-amino-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one?
5-amino-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 208.22 g/mol, XLogP of -0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136973282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).