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

C11H18N4O2 — CID 114586378

IUPAC5-amino-4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one
SMILESNc1c(OCCC2CCCCN2)nc[nH]c1=O
InChIInChI=1S/C11H18N4O2/c12-9-10(16)14-7-15-11(9)17-6-4-8-3-1-2-5-13-8/h7-8,13H,1-6,12H2,(H,14,15,16)
InChIKeyNDQADFRANHEHOA-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.26
Rot. Bonds4

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

5-amino-4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one (PubChem CID 114586378) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-amino-4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one
PubChem CID114586378
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name5-amino-4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one
SMILESNc1c(OCCC2CCCCN2)nc[nH]c1=O
InChIInChI=1S/C11H18N4O2/c12-9-10(16)14-7-15-11(9)17-6-4-8-3-1-2-5-13-8/h7-8,13H,1-6,12H2,(H,14,15,16)
InChIKeyNDQADFRANHEHOA-UHFFFAOYSA-N
XLogP0.26
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 ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-4-(4-aminocyclohexyl)oxy-1H-pyrimidin-6-one
CID 102729357
5-amino-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 103241696
5-amino-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-pyrimidin-6-one
CID 113792727
5-amino-4-piperidin-4-yloxy-1H-pyrimidin-6-one
CID 114586284
5-amino-4-(piperidin-4-ylmethoxy)-1H-pyrimidin-6-one
CID 114586350
5-chloro-4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one
CID 114586373
4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one
CID 114586374
5-bromo-4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one
CID 114586377
5-iodo-4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one
CID 114586379
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-amino-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one
CID 114586439

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one (CID 114586378) is 5-amino-4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one is Nc1c(OCCC2CCCCN2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one?
The InChIKey is NDQADFRANHEHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c12-9-10(16)14-7-15-11(9)17-6-4-8-3-1-2-5-13-8/h7-8,13H,1-6,12H2,(H,14,15,16).
What are the key properties of 5-amino-4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one?
5-amino-4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one has a molecular weight of 238.29 g/mol, XLogP of 0.26, 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-2-ylethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 114586378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).