5-[2-(3,9-diazaspiro[5.5]undecan-3-yl)-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one

C16H24N4O2 — CID 56871392

IUPAC5-[2-(3,9-diazaspiro[5.5]undecan-3-yl)-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1ncc(CC(=O)N2CCC3(CCNCC3)CC2)c(=O)[nH]1
InChIInChI=1S/C16H24N4O2/c1-12-18-11-13(15(22)19-12)10-14(21)20-8-4-16(5-9-20)2-6-17-7-3-16/h11,17H,2-10H2,1H3,(H,18,19,22)
InChIKeyFLBZDTLVFDCFQY-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.61
Rot. Bonds2

About 5-[2-(3,9-diazaspiro[5.5]undecan-3-yl)-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one

5-[2-(3,9-diazaspiro[5.5]undecan-3-yl)-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 56871392) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 5-[2-(3,9-diazaspiro[5.5]undecan-3-yl)-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[2-(3,9-diazaspiro[5.5]undecan-3-yl)-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one
PubChem CID56871392
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name5-[2-(3,9-diazaspiro[5.5]undecan-3-yl)-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1ncc(CC(=O)N2CCC3(CCNCC3)CC2)c(=O)[nH]1
InChIInChI=1S/C16H24N4O2/c1-12-18-11-13(15(22)19-12)10-14(21)20-8-4-16(5-9-20)2-6-17-7-3-16/h11,17H,2-10H2,1H3,(H,18,19,22)
InChIKeyFLBZDTLVFDCFQY-UHFFFAOYSA-N
XLogP0.61
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[2-(3,9-diazaspiro[5.5]undecan-3-yl)-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one with MolForge

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Related Compounds

2-(2-Hydroxyethyl)-9-[(2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72841912
2-Cyclopropyl-9-[(2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72926419
N-cyclopropyl-1'-[(2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetyl]-1,4'-bipiperidine-3-carboxamide
CID 56869953
2-Ethyl-8-[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70731386
5-[2-(3,9-diazaspiro[5.5]undec-3-yl)-2-oxoethyl]-2-ethyl-6-methyl-4(3H)-pyrimidinone hydrochloride
CID 136147136
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
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-Cyclopentyl-8-[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70783120
2-methyl-5-[2-oxo-2-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one
CID 70785403
2-(Cyclopropylmethyl)-9-[(2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72868469

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,9-diazaspiro[5.5]undecan-3-yl)-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-[2-(3,9-diazaspiro[5.5]undecan-3-yl)-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one (CID 56871392) is 5-[2-(3,9-diazaspiro[5.5]undecan-3-yl)-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[2-(3,9-diazaspiro[5.5]undecan-3-yl)-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[2-(3,9-diazaspiro[5.5]undecan-3-yl)-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one is Cc1ncc(CC(=O)N2CCC3(CCNCC3)CC2)c(=O)[nH]1.
What is the InChIKey of 5-[2-(3,9-diazaspiro[5.5]undecan-3-yl)-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is FLBZDTLVFDCFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-12-18-11-13(15(22)19-12)10-14(21)20-8-4-16(5-9-20)2-6-17-7-3-16/h11,17H,2-10H2,1H3,(H,18,19,22).
What are the key properties of 5-[2-(3,9-diazaspiro[5.5]undecan-3-yl)-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one?
5-[2-(3,9-diazaspiro[5.5]undecan-3-yl)-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 304.39 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,9-diazaspiro[5.5]undecan-3-yl)-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 56871392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).