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

C11H18N4O — CID 136740823

IUPAC2-(4-aminopiperidin-1-yl)-4-ethyl-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(N2CCC(N)CC2)n1
InChIInChI=1S/C11H18N4O/c1-2-9-7-10(16)14-11(13-9)15-5-3-8(12)4-6-15/h7-8H,2-6,12H2,1H3,(H,13,14,16)
InChIKeyXSQZVBBXYCKWTA-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.26
Rot. Bonds2

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

2-(4-aminopiperidin-1-yl)-4-ethyl-1H-pyrimidin-6-one (PubChem CID 136740823) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-4-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-4-ethyl-1H-pyrimidin-6-one
PubChem CID136740823
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2-(4-aminopiperidin-1-yl)-4-ethyl-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(N2CCC(N)CC2)n1
InChIInChI=1S/C11H18N4O/c1-2-9-7-10(16)14-11(13-9)15-5-3-8(12)4-6-15/h7-8H,2-6,12H2,1H3,(H,13,14,16)
InChIKeyXSQZVBBXYCKWTA-UHFFFAOYSA-N
XLogP0.26
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-benzhydrylpiperazin-4-ium-1-yl)-4-ethyl-1H-pyrimidin-6-one
CID 135764000
2-[4-(aminomethyl)piperidin-1-yl]-4-tert-butyl-1H-pyrimidin-6-one
CID 136740890
4-ethyl-2-(3-oxo-5-phenyl-1H-pyrazol-2-yl)-1H-pyrimidin-6-one
CID 135439812
4-[(2,6-difluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 135846077
3-(4-aminopiperidin-1-yl)-4H-1,2,4-triazin-5-one;hydrochloride
CID 137091118
4-(chloromethyl)-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 135978506
2-amino-4-(4-aminopiperidin-1-yl)-1H-pyrimidin-6-one
CID 135933881
4-(ethylsulfanylmethyl)-2-piperazin-1-yl-1H-pyrimidin-6-one
CID 136925290
4-(ethylaminomethyl)-2-morpholin-4-yl-1H-pyrimidin-6-one
CID 135978215
2-(4-phenylpiperazin-1-yl)-4-propyl-1H-pyrimidin-6-one
CID 135456330
4-(methylaminomethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 135978265
4-(methoxymethyl)-2-piperazin-1-yl-1H-pyrimidin-6-one
CID 135629231

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)-4-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-4-ethyl-1H-pyrimidin-6-one (CID 136740823) is 2-(4-aminopiperidin-1-yl)-4-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-4-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-4-ethyl-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(N2CCC(N)CC2)n1.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)-4-ethyl-1H-pyrimidin-6-one?
The InChIKey is XSQZVBBXYCKWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-2-9-7-10(16)14-11(13-9)15-5-3-8(12)4-6-15/h7-8H,2-6,12H2,1H3,(H,13,14,16).
What are the key properties of 2-(4-aminopiperidin-1-yl)-4-ethyl-1H-pyrimidin-6-one?
2-(4-aminopiperidin-1-yl)-4-ethyl-1H-pyrimidin-6-one has a molecular weight of 222.29 g/mol, XLogP of 0.26, 2 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)-4-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136740823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).