5-amino-4-[2-(2-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one

C11H18N4O2 — CID 136989569

IUPAC5-amino-4-[2-(2-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESNc1c(N2CCCCC2CCO)nc[nH]c1=O
InChIInChI=1S/C11H18N4O2/c12-9-10(13-7-14-11(9)17)15-5-2-1-3-8(15)4-6-16/h7-8,16H,1-6,12H2,(H,13,14,17)
InChIKeyYEDIHOCOHJZJET-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.09
Rot. Bonds3

About 5-amino-4-[2-(2-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one

5-amino-4-[2-(2-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136989569) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-amino-4-[2-(2-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[2-(2-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136989569
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name5-amino-4-[2-(2-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESNc1c(N2CCCCC2CCO)nc[nH]c1=O
InChIInChI=1S/C11H18N4O2/c12-9-10(13-7-14-11(9)17)15-5-2-1-3-8(15)4-6-16/h7-8,16H,1-6,12H2,(H,13,14,17)
InChIKeyYEDIHOCOHJZJET-UHFFFAOYSA-N
XLogP0.09
TPSA95.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one
CID 114586378
5-amino-4-[[2-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one
CID 136746832
5-amino-4-(6-hydroxyhexylamino)-1H-pyrimidin-6-one
CID 136866826
5-amino-4-[2-(2-hydroxypropyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136933996
4-[2-(2-hydroxyethyl)piperidin-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 136957353
5-bromo-4-[2-(2-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136957354
4-[2-(2-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136957355
2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetic acid
CID 136958580
5-amino-4-(4-hydroxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136979515
5-amino-4-[2-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136979541
5-amino-4-[3-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136979547
5-amino-4-[4-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136979558

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[2-(2-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[2-(2-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one (CID 136989569) is 5-amino-4-[2-(2-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[2-(2-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[2-(2-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one is Nc1c(N2CCCCC2CCO)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-[2-(2-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is YEDIHOCOHJZJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c12-9-10(13-7-14-11(9)17)15-5-2-1-3-8(15)4-6-16/h7-8,16H,1-6,12H2,(H,13,14,17).
What are the key properties of 5-amino-4-[2-(2-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
5-amino-4-[2-(2-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 238.29 g/mol, XLogP of 0.09, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[2-(2-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136989569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).