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

C18H28N4O4 — CID 95874096

IUPAC6-[[(6S)-2-(3-methoxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione
SMILESCOCCCN1C[C@@]2(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)/t18-/m0/s1
InChIKeyPXZJHFLOKHZSDQ-SFHVURJKSA-N
MW364.45 g/mol
LogP0.30
Rot. Bonds6

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

6-[[(6S)-2-(3-methoxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione (PubChem CID 95874096) has the molecular formula C18H28N4O4 and a molecular weight of 364.45 g/mol. Its IUPAC name is 6-[[(6S)-2-(3-methoxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[[(6S)-2-(3-methoxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione
PubChem CID95874096
Molecular FormulaC18H28N4O4
Molecular Weight364.45 g/mol
Exact Mass364.21
IUPAC Name6-[[(6S)-2-(3-methoxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione
SMILESCOCCCN1C[C@@]2(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)/t18-/m0/s1
InChIKeyPXZJHFLOKHZSDQ-SFHVURJKSA-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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Frequently Asked Questions

What is the IUPAC name of 6-[[(6S)-2-(3-methoxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[[(6S)-2-(3-methoxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione (CID 95874096) is 6-[[(6S)-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-[[(6S)-2-(3-methoxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[[(6S)-2-(3-methoxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione is COCCCN1C[C@@]2(CCCN(Cc3cc(=O)[nH]c(=O)[nH]3)C2)CCC1=O.
What is the InChIKey of 6-[[(6S)-2-(3-methoxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is PXZJHFLOKHZSDQ-SFHVURJKSA-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)/t18-/m0/s1.
What are the key properties of 6-[[(6S)-2-(3-methoxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione?
6-[[(6S)-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-[[(6S)-2-(3-methoxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 95874096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).