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

C11H18N4O — CID 137009406

IUPAC5-amino-4-(4-ethylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCCC1CCN(c2nc[nH]c(=O)c2N)CC1
InChIInChI=1S/C11H18N4O/c1-2-8-3-5-15(6-4-8)10-9(12)11(16)14-7-13-10/h7-8H,2-6,12H2,1H3,(H,13,14,16)
InChIKeyDXYJQJIHQXSQBO-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.98
Rot. Bonds2

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

5-amino-4-(4-ethylpiperidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 137009406) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 5-amino-4-(4-ethylpiperidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(4-ethylpiperidin-1-yl)-1H-pyrimidin-6-one
PubChem CID137009406
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name5-amino-4-(4-ethylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCCC1CCN(c2nc[nH]c(=O)c2N)CC1
InChIInChI=1S/C11H18N4O/c1-2-8-3-5-15(6-4-8)10-9(12)11(16)14-7-13-10/h7-8H,2-6,12H2,1H3,(H,13,14,16)
InChIKeyDXYJQJIHQXSQBO-UHFFFAOYSA-N
XLogP0.98
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 ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-4-[4-[2-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one
CID 136978310
5-amino-4-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-1H-pyrimidin-6-one
CID 136869158
5-amino-4-[4-(2-aminoethoxy)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136989851
5-amino-4-piperazin-1-yl-1H-pyrimidin-6-one
CID 136958154
5-amino-4-[3-(aminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136972878
5-amino-4-(4-pyrrolidin-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136978043
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 136958827
2-[4-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]pentanenitrile
CID 136973053
5-methoxy-4-(4-propylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 137009463
4-[4-(bromomethyl)piperidin-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 136971982
5-amino-4-[4-(4-fluorophenyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 135575716
5-amino-4-[2-(ethylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 137007904

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(4-ethylpiperidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(4-ethylpiperidin-1-yl)-1H-pyrimidin-6-one (CID 137009406) is 5-amino-4-(4-ethylpiperidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(4-ethylpiperidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(4-ethylpiperidin-1-yl)-1H-pyrimidin-6-one is CCC1CCN(c2nc[nH]c(=O)c2N)CC1.
What is the InChIKey of 5-amino-4-(4-ethylpiperidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is DXYJQJIHQXSQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-2-8-3-5-15(6-4-8)10-9(12)11(16)14-7-13-10/h7-8H,2-6,12H2,1H3,(H,13,14,16).
What are the key properties of 5-amino-4-(4-ethylpiperidin-1-yl)-1H-pyrimidin-6-one?
5-amino-4-(4-ethylpiperidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 222.29 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(4-ethylpiperidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137009406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).