5-amino-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one

C11H18N4O2 — CID 114586439

IUPAC5-amino-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one
SMILESNc1c(OCCC2CCCNC2)nc[nH]c1=O
InChIInChI=1S/C11H18N4O2/c12-9-10(16)14-7-15-11(9)17-5-3-8-2-1-4-13-6-8/h7-8,13H,1-6,12H2,(H,14,15,16)
InChIKeyZDGLXOYYAWYRNN-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.12
Rot. Bonds4

About 5-amino-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one

5-amino-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one (PubChem CID 114586439) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-amino-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one
PubChem CID114586439
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name5-amino-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one
SMILESNc1c(OCCC2CCCNC2)nc[nH]c1=O
InChIInChI=1S/C11H18N4O2/c12-9-10(16)14-7-15-11(9)17-5-3-8-2-1-4-13-6-8/h7-8,13H,1-6,12H2,(H,14,15,16)
InChIKeyZDGLXOYYAWYRNN-UHFFFAOYSA-N
XLogP0.12
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
CID 102954541
5-amino-4-[[2-(aminomethyl)cyclohexyl]methoxy]-1H-pyrimidin-6-one
CID 113604891
5-amino-4-[[2-(aminomethyl)cyclopentyl]methoxy]-1H-pyrimidin-6-one
CID 113604894
5-amino-4-(piperidin-4-ylmethoxy)-1H-pyrimidin-6-one
CID 114586350
5-amino-4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one
CID 114586378
5-amino-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one
CID 114586413
5-amino-4-(piperidin-2-ylmethoxy)-1H-pyrimidin-6-one
CID 114586422
5-chloro-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one
CID 114586434
4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one
CID 114586435
5-bromo-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one
CID 114586438
5-iodo-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one
CID 114586440
5-amino-4-[2-(aminomethyl)cyclopentyl]oxy-1H-pyrimidin-6-one
CID 114586508

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one (CID 114586439) is 5-amino-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one is Nc1c(OCCC2CCCNC2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one?
The InChIKey is ZDGLXOYYAWYRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c12-9-10(16)14-7-15-11(9)17-5-3-8-2-1-4-13-6-8/h7-8,13H,1-6,12H2,(H,14,15,16).
What are the key properties of 5-amino-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one?
5-amino-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one has a molecular weight of 238.29 g/mol, XLogP of 0.12, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 114586439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).