2-(3-methylbut-2-enyl)-8-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one

C19H26N4O3 — CID 72864883

IUPAC2-(3-methylbut-2-enyl)-8-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCC(C)=CCN1CC2(CCN(C(=O)c3cnc(C)[nH]c3=O)CC2)CC1=O
InChIInChI=1S/C19H26N4O3/c1-13(2)4-7-23-12-19(10-16(23)24)5-8-22(9-6-19)18(26)15-11-20-14(3)21-17(15)25/h4,11H,5-10,12H2,1-3H3,(H,20,21,25)
InChIKeySWSGPRLIJAXQII-UHFFFAOYSA-N
MW358.44 g/mol
LogP1.50
Rot. Bonds3

About 2-(3-methylbut-2-enyl)-8-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one

2-(3-methylbut-2-enyl)-8-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 72864883) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-(3-methylbut-2-enyl)-8-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-(3-methylbut-2-enyl)-8-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID72864883
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name2-(3-methylbut-2-enyl)-8-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCC(C)=CCN1CC2(CCN(C(=O)c3cnc(C)[nH]c3=O)CC2)CC1=O
InChIInChI=1S/C19H26N4O3/c1-13(2)4-7-23-12-19(10-16(23)24)5-8-22(9-6-19)18(26)15-11-20-14(3)21-17(15)25/h4,11H,5-10,12H2,1-3H3,(H,20,21,25)
InChIKeySWSGPRLIJAXQII-UHFFFAOYSA-N
XLogP1.50
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-Isopropyl-6-oxo-1,6-dihydropyrimidin-5-yl)carbonyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 56751707
2-isopropyl-5-{[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]carbonyl}pyrimidin-4(3H)-one
CID 56872069
2-[(4-Hydroxy-2-methylpyrimidin-5-yl)carbonyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 72874914
2-methyl-5-(2-oxo-2-{4-[2-(2-oxo-1-pyrrolidinyl)ethyl]-1-piperidinyl}ethyl)-4(3H)-pyrimidinone
CID 70769103
7-Cyclohexyl-2-[(2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72883718
2-[(2-Cyclopropyl-6-oxo-1,6-dihydro-5-pyrimidinyl)carbonyl]-7-ethyl-2,7-diazaspiro[4.5]decan-6-one
CID 72910811
2-Isobutyl-8-[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)acetyl]-2,8-diazaspiro[4.5]decan-3-one
CID 72913182
2-Ethyl-9-[(2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)carbonyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72918710
(5R)-7-methyl-2-(6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 95208270
(5S)-7-methyl-2-(6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 95208271
(5R)-7-cyclohexyl-2-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97129825
(5S)-7-cyclohexyl-2-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97129826

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbut-2-enyl)-8-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-(3-methylbut-2-enyl)-8-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one (CID 72864883) is 2-(3-methylbut-2-enyl)-8-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-(3-methylbut-2-enyl)-8-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-(3-methylbut-2-enyl)-8-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one is CC(C)=CCN1CC2(CCN(C(=O)c3cnc(C)[nH]c3=O)CC2)CC1=O.
What is the InChIKey of 2-(3-methylbut-2-enyl)-8-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is SWSGPRLIJAXQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-13(2)4-7-23-12-19(10-16(23)24)5-8-22(9-6-19)18(26)15-11-20-14(3)21-17(15)25/h4,11H,5-10,12H2,1-3H3,(H,20,21,25).
What are the key properties of 2-(3-methylbut-2-enyl)-8-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
2-(3-methylbut-2-enyl)-8-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 358.44 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbut-2-enyl)-8-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 72864883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).