2-(3-methylbut-2-enyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-3-one

C17H24N4O — CID 72849443

IUPAC2-(3-methylbut-2-enyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-3-one
SMILESCC(C)=CCN1CC2(CCN(c3ncccn3)CC2)CC1=O
InChIInChI=1S/C17H24N4O/c1-14(2)4-9-21-13-17(12-15(21)22)5-10-20(11-6-17)16-18-7-3-8-19-16/h3-4,7-8H,5-6,9-13H2,1-2H3
InChIKeyTZHRIKNGHLBNID-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.26
Rot. Bonds3

About 2-(3-methylbut-2-enyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-3-one

2-(3-methylbut-2-enyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 72849443) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 2-(3-methylbut-2-enyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-(3-methylbut-2-enyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-3-one
PubChem CID72849443
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name2-(3-methylbut-2-enyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-3-one
SMILESCC(C)=CCN1CC2(CCN(c3ncccn3)CC2)CC1=O
InChIInChI=1S/C17H24N4O/c1-14(2)4-9-21-13-17(12-15(21)22)5-10-20(11-6-17)16-18-7-3-8-19-16/h3-4,7-8H,5-6,9-13H2,1-2H3
InChIKeyTZHRIKNGHLBNID-UHFFFAOYSA-N
XLogP2.26
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-3-one
CID 175822956
2-benzyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-3-one
CID 70746319
6-[2-(3-methylbut-2-enyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]pyridine-3-carboxylic acid
CID 72928045
2-(3-methylbut-2-enyl)-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72894081
8-(6-cyclopropylpyrimidin-4-yl)-2-(3-methylbut-2-enyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72860734
2,8-di(pyrimidin-2-yl)-2,8-diazaspiro[4.5]decane
CID 97369995
2-methyl-7-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonane
CID 171070249
2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-pyrimidin-2-yl-2,7-diazaspiro[4.4]nonan-3-one
CID 118743886
2-prop-2-enyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one
CID 97370217
8-(2-methylpyrimidin-4-yl)-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one
CID 72843442
methyl-(7-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)phosphane
CID 171070043
2-(3-phenylprop-2-enyl)-8-pyrazin-2-yl-2,8-diazaspiro[4.5]decan-3-one
CID 91940108

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbut-2-enyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-(3-methylbut-2-enyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-3-one (CID 72849443) is 2-(3-methylbut-2-enyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-(3-methylbut-2-enyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-(3-methylbut-2-enyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-3-one is CC(C)=CCN1CC2(CCN(c3ncccn3)CC2)CC1=O.
What is the InChIKey of 2-(3-methylbut-2-enyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is TZHRIKNGHLBNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-14(2)4-9-21-13-17(12-15(21)22)5-10-20(11-6-17)16-18-7-3-8-19-16/h3-4,7-8H,5-6,9-13H2,1-2H3.
What are the key properties of 2-(3-methylbut-2-enyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-3-one?
2-(3-methylbut-2-enyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 300.41 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbut-2-enyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 72849443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).