2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-3-one;hydrochloride

C12H17ClN4O — CID 159717779

IUPAC2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-3-one;hydrochloride
SMILESCl.O=C1CC2(CCNCC2)CN1c1cncnc1
InChIInChI=1S/C12H16N4O.ClH/c17-11-5-12(1-3-13-4-2-12)8-16(11)10-6-14-9-15-7-10;/h6-7,9,13H,1-5,8H2;1H
InChIKeyOKJUZEZXTGDDTA-UHFFFAOYSA-N
MW268.75 g/mol
LogP1.00
Rot. Bonds1

About 2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-3-one;hydrochloride

2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-3-one;hydrochloride (PubChem CID 159717779) has the molecular formula C12H17ClN4O and a molecular weight of 268.75 g/mol. Its IUPAC name is 2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-3-one;hydrochloride.

Molecular Properties

Compound Name2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-3-one;hydrochloride
PubChem CID159717779
Molecular FormulaC12H17ClN4O
Molecular Weight268.75 g/mol
Exact Mass268.11
IUPAC Name2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-3-one;hydrochloride
SMILESCl.O=C1CC2(CCNCC2)CN1c1cncnc1
InChIInChI=1S/C12H16N4O.ClH/c17-11-5-12(1-3-13-4-2-12)8-16(11)10-6-14-9-15-7-10;/h6-7,9,13H,1-5,8H2;1H
InChIKeyOKJUZEZXTGDDTA-UHFFFAOYSA-N
XLogP1.00
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-3-one;hydrochloride?
The IUPAC name of 2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-3-one;hydrochloride (CID 159717779) is 2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-3-one;hydrochloride.
What is the SMILES notation for 2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-3-one;hydrochloride?
The canonical SMILES for 2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-3-one;hydrochloride is Cl.O=C1CC2(CCNCC2)CN1c1cncnc1.
What is the InChIKey of 2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-3-one;hydrochloride?
The InChIKey is OKJUZEZXTGDDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O.ClH/c17-11-5-12(1-3-13-4-2-12)8-16(11)10-6-14-9-15-7-10;/h6-7,9,13H,1-5,8H2;1H.
What are the key properties of 2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-3-one;hydrochloride?
2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-3-one;hydrochloride has a molecular weight of 268.75 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-3-one;hydrochloride is sourced from PubChem (CID 159717779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).