2-(4-aminopiperidin-1-yl)-1H-pyrimidin-6-one

C9H14N4O — CID 117224315

IUPAC2-(4-aminopiperidin-1-yl)-1H-pyrimidin-6-one
SMILESNC1CCN(c2nccc(=O)[nH]2)CC1
InChIInChI=1S/C9H14N4O/c10-7-2-5-13(6-3-7)9-11-4-1-8(14)12-9/h1,4,7H,2-3,5-6,10H2,(H,11,12,14)
InChIKeyYLZZUVOWBQLJCK-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.30
Rot. Bonds1

About 2-(4-aminopiperidin-1-yl)-1H-pyrimidin-6-one

2-(4-aminopiperidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 117224315) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-1H-pyrimidin-6-one
PubChem CID117224315
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name2-(4-aminopiperidin-1-yl)-1H-pyrimidin-6-one
SMILESNC1CCN(c2nccc(=O)[nH]2)CC1
InChIInChI=1S/C9H14N4O/c10-7-2-5-13(6-3-7)9-11-4-1-8(14)12-9/h1,4,7H,2-3,5-6,10H2,(H,11,12,14)
InChIKeyYLZZUVOWBQLJCK-UHFFFAOYSA-N
XLogP-0.30
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-Piperidinyl)-4(3H)-pyrimidinone
CID 1404202
2-(4-aminopiperidin-1-yl)-6-methylpyrimidin-4(3H)-one dihydrochloride
CID 137017015
2-[Methyl(piperidin-4-yl)amino]pyrimidin-4-ol
CID 14601273
2-(Trifluoromethyl)-1,2,3,4-tetrahydropyrimido[1,2-a]pyrimidin-6-one
CID 137125106
2-[(3R)-3-aminopiperidin-1-yl]-5-fluoro-1H-pyrimidin-6-one
CID 141182437
2-(3-aminopiperidin-1-yl)-5-fluoro-1H-pyrimidin-6-one
CID 149709905
6-(Trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
CID 153920822
2-[[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]amino]-1H-pyrimidin-6-one
CID 154058334
2-(4,4-difluoropiperidin-1-yl)-1H-pyrimidin-6-one
CID 178584772
2-[(1-methylpiperidin-4-yl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136741433
2-(4-Aminopiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-4(3H)-one
CID 136741438
2-(Cyclohexylamino)-3-hydropyrimidin-4-one
CID 716785

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-1H-pyrimidin-6-one (CID 117224315) is 2-(4-aminopiperidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-1H-pyrimidin-6-one is NC1CCN(c2nccc(=O)[nH]2)CC1.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is YLZZUVOWBQLJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c10-7-2-5-13(6-3-7)9-11-4-1-8(14)12-9/h1,4,7H,2-3,5-6,10H2,(H,11,12,14).
What are the key properties of 2-(4-aminopiperidin-1-yl)-1H-pyrimidin-6-one?
2-(4-aminopiperidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 194.24 g/mol, XLogP of -0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 117224315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).