6-[[2-(3-methoxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione

C18H28N4O4 — CID 70707954

IUPAC6-[[2-(3-methoxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione
SMILESCOCCCN1CC2(CCCN(Cc3cc(=O)[nH]c(=O)[nH]3)C2)CCC1=O
InChIInChI=1S/C18H28N4O4/c1-26-9-3-8-22-13-18(6-4-16(22)24)5-2-7-21(12-18)11-14-10-15(23)20-17(25)19-14/h10H,2-9,11-13H2,1H3,(H2,19,20,23,25)
InChIKeyPXZJHFLOKHZSDQ-UHFFFAOYSA-N
MW364.45 g/mol
LogP0.30
Rot. Bonds6

About 6-[[2-(3-methoxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione

6-[[2-(3-methoxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione (PubChem CID 70707954) has the molecular formula C18H28N4O4 and a molecular weight of 364.45 g/mol. Its IUPAC name is 6-[[2-(3-methoxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[[2-(3-methoxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione
PubChem CID70707954
Molecular FormulaC18H28N4O4
Molecular Weight364.45 g/mol
Exact Mass364.21
IUPAC Name6-[[2-(3-methoxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione
SMILESCOCCCN1CC2(CCCN(Cc3cc(=O)[nH]c(=O)[nH]3)C2)CCC1=O
InChIInChI=1S/C18H28N4O4/c1-26-9-3-8-22-13-18(6-4-16(22)24)5-2-7-21(12-18)11-14-10-15(23)20-17(25)19-14/h10H,2-9,11-13H2,1H3,(H2,19,20,23,25)
InChIKeyPXZJHFLOKHZSDQ-UHFFFAOYSA-N
XLogP0.30
TPSA98.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(8-butyl-9-oxo-2,8-diazaspiro[5.5]undec-2-yl)-2-oxoethyl]pyrimidine-2,4(1H,3H)-dione
CID 72853815
6-({8-[2-(dimethylamino)ethyl]-9-oxo-2,8-diazaspiro[5.5]undec-2-yl}carbonyl)-2,4(1H,3H)-pyrimidinedione
CID 70723742
6-{[8-(2-hydroxyethyl)-9-oxo-2,8-diazaspiro[5.5]undec-2-yl]methyl}-2,4(1H,3H)-pyrimidinedione
CID 70747316
6-[(2-cyclopentyl-3-oxo-2,9-diazaspiro[5.5]undec-9-yl)methyl]pyrimidine-2,4(1H,3H)-dione
CID 70749258
6-[(2-cyclopentyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)methyl]-1H-pyrimidine-2,4-dione
CID 70764910
6-[[2-[2-(dimethylamino)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione
CID 70774157
1-{2-[2-(3-methoxypropyl)-3-oxo-2,9-diazaspiro[5.5]undec-9-yl]-2-oxoethyl}pyrimidine-2,4(1H,3H)-dione
CID 72921293
6-{[2-(3-methoxypropyl)-3-oxo-2,8-diazaspiro[4.5]dec-8-yl]methyl}-2,4(1H,3H)-pyrimidinedione
CID 72940363
6-[(6R)-2-[2-(dimethylamino)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl]-1H-pyrimidine-2,4-dione
CID 95862653
6-[(6S)-2-[2-(dimethylamino)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl]-1H-pyrimidine-2,4-dione
CID 95862654
6-[[(6S)-2-(3-methoxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione
CID 95874096
6-[[(6R)-2-(3-methoxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione
CID 95874097

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(3-methoxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[[2-(3-methoxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione (CID 70707954) is 6-[[2-(3-methoxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[[2-(3-methoxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[[2-(3-methoxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione is COCCCN1CC2(CCCN(Cc3cc(=O)[nH]c(=O)[nH]3)C2)CCC1=O.
What is the InChIKey of 6-[[2-(3-methoxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is PXZJHFLOKHZSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O4/c1-26-9-3-8-22-13-18(6-4-16(22)24)5-2-7-21(12-18)11-14-10-15(23)20-17(25)19-14/h10H,2-9,11-13H2,1H3,(H2,19,20,23,25).
What are the key properties of 6-[[2-(3-methoxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione?
6-[[2-(3-methoxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 364.45 g/mol, XLogP of 0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(3-methoxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 70707954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).