8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one

C19H28N4O3 — CID 72913182

IUPAC8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCc1ncc(CC(=O)N2CCC3(CC2)CC(=O)N(CC(C)C)C3)c(=O)[nH]1
InChIInChI=1S/C19H28N4O3/c1-13(2)11-23-12-19(9-17(23)25)4-6-22(7-5-19)16(24)8-15-10-20-14(3)21-18(15)26/h10,13H,4-9,11-12H2,1-3H3,(H,20,21,26)
InChIKeyCCXAOQVPYCICIF-UHFFFAOYSA-N
MW360.46 g/mol
LogP1.12
Rot. Bonds4

About 8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one

8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 72913182) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID72913182
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCc1ncc(CC(=O)N2CCC3(CC2)CC(=O)N(CC(C)C)C3)c(=O)[nH]1
InChIInChI=1S/C19H28N4O3/c1-13(2)11-23-12-19(9-17(23)25)4-6-22(7-5-19)16(24)8-15-10-20-14(3)21-18(15)26/h10,13H,4-9,11-12H2,1-3H3,(H,20,21,26)
InChIKeyCCXAOQVPYCICIF-UHFFFAOYSA-N
XLogP1.12
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-(2-oxo-2-{2-[2-(1-pyrrolidinyl)ethyl]-1-piperidinyl}ethyl)-4(3H)-pyrimidinone
CID 70711114
2-[(2-Isopropyl-6-oxo-1,6-dihydropyrimidin-5-yl)carbonyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 56751707
2-Ethyl-8-[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70731386
2-[(4-Hydroxy-2-methylpyrimidin-5-yl)carbonyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 72874914
2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[5-[6-oxo-5-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrimidin-2-yl]pentyl]acetamide
CID 90841217
5-(2-oxo-2-piperidin-1-ylethyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 90925807
2-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrimidin-6-one
CID 143940576
5-[2-(3,9-diazaspiro[5.5]undec-3-yl)-2-oxoethyl]-2-methyl-4(3H)-pyrimidinone hydrochloride
CID 56871392
2-methyl-5-{2-oxo-2-[4-(1-piperidinylcarbonyl)-1-piperidinyl]ethyl}-4(3H)-pyrimidinone
CID 56906487
2-methyl-5-(2-oxo-2-{4-[2-(2-oxo-1-pyrrolidinyl)ethyl]-1-piperidinyl}ethyl)-4(3H)-pyrimidinone
CID 70769103
2-methyl-5-[2-oxo-2-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one
CID 70785403
2-(3-Methyl-2-buten-1-yl)-8-[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)carbonyl]-2,8-diazaspiro[4.5]decan-3-one
CID 72864883

Frequently Asked Questions

What is the IUPAC name of 8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one (CID 72913182) is 8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one is Cc1ncc(CC(=O)N2CCC3(CC2)CC(=O)N(CC(C)C)C3)c(=O)[nH]1.
What is the InChIKey of 8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is CCXAOQVPYCICIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-13(2)11-23-12-19(9-17(23)25)4-6-22(7-5-19)16(24)8-15-10-20-14(3)21-18(15)26/h10,13H,4-9,11-12H2,1-3H3,(H,20,21,26).
What are the key properties of 8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one?
8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 360.46 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 72913182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).