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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-{[2-(Propylamino)pyrimidin-5-YL]methyl}-2,8-diazaspiro[4.5]decan-3-one
CID 50975473
3,3-dimethyl-N~1~-(2-piperidino-5-pyrimidinyl)butanamide
CID 53164677
N-[2-(pyrimidin-2-ylamino)ethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 53502240
1-(3-Imidazol-1-ylpiperidin-1-yl)-4-(pyrimidin-2-ylamino)butan-1-one
CID 53618214
(4aR,7aS)-N,6-dimethyl-1-pyrimidin-2-yl-2,3,4,5,7,7a-hexahydropyrrolo[3,4-b]pyridine-4a-carboxamide
CID 97512634
(4aR,7aS)-4a-N-methyl-6-N-propan-2-yl-1-pyrimidin-2-yl-2,3,4,5,7,7a-hexahydropyrrolo[3,4-b]pyridine-4a,6-dicarboxamide
CID 97512645
(4aR,7aS)-N-(cyclopropylmethyl)-6-methyl-1-pyrimidin-2-yl-2,3,4,5,7,7a-hexahydropyrrolo[3,4-b]pyridine-4a-carboxamide
CID 97512700
(4aR,7aS)-N-(cyclopropylmethyl)-6-ethyl-1-pyrimidin-2-yl-2,3,4,5,7,7a-hexahydropyrrolo[3,4-b]pyridine-4a-carboxamide
CID 97512701
(4aR,7aS)-N-(cyclopropylmethyl)-6-(2-methylpropyl)-1-pyrimidin-2-yl-2,3,4,5,7,7a-hexahydropyrrolo[3,4-b]pyridine-4a-carboxamide
CID 97512702
8-(5-Methylpyrimidin-2-yl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one
CID 98767055
9-(2-Methoxyacetyl)-2-pyrimidin-5-yl-2,9-diazaspiro[4.5]decan-1-one
CID 118740981
N-(2-(pyrrolidin-1-yl)pyrimidin-5-yl)cyclohexanecarboxamide
CID 53014749

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).