2-(3-methoxypropyl)-8-(6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one

C18H26N4O4 — CID 70708543

IUPAC2-(3-methoxypropyl)-8-(6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCOCCCN1CC2(CCCN(C(=O)c3cnc[nH]c3=O)C2)CCC1=O
InChIInChI=1S/C18H26N4O4/c1-26-9-3-8-21-11-18(6-4-15(21)23)5-2-7-22(12-18)17(25)14-10-19-13-20-16(14)24/h10,13H,2-9,11-12H2,1H3,(H,19,20,24)
InChIKeyDFYORUOWEGILHP-UHFFFAOYSA-N
MW362.43 g/mol
LogP0.65
Rot. Bonds5

About 2-(3-methoxypropyl)-8-(6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one

2-(3-methoxypropyl)-8-(6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70708543) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-(3-methoxypropyl)-8-(6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(3-methoxypropyl)-8-(6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70708543
Molecular FormulaC18H26N4O4
Molecular Weight362.43 g/mol
Exact Mass362.20
IUPAC Name2-(3-methoxypropyl)-8-(6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCOCCCN1CC2(CCCN(C(=O)c3cnc[nH]c3=O)C2)CCC1=O
InChIInChI=1S/C18H26N4O4/c1-26-9-3-8-21-11-18(6-4-15(21)23)5-2-7-22(12-18)17(25)14-10-19-13-20-16(14)24/h10,13H,2-9,11-12H2,1H3,(H,19,20,24)
InChIKeyDFYORUOWEGILHP-UHFFFAOYSA-N
XLogP0.65
TPSA95.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 50.65
H-Bond Donors ≤ 51
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 2-(3-methoxypropyl)-8-(6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(3-methoxypropyl)-8-(6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 70708543) is 2-(3-methoxypropyl)-8-(6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(3-methoxypropyl)-8-(6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(3-methoxypropyl)-8-(6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one is COCCCN1CC2(CCCN(C(=O)c3cnc[nH]c3=O)C2)CCC1=O.
What is the InChIKey of 2-(3-methoxypropyl)-8-(6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is DFYORUOWEGILHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4/c1-26-9-3-8-21-11-18(6-4-15(21)23)5-2-7-22(12-18)17(25)14-10-19-13-20-16(14)24/h10,13H,2-9,11-12H2,1H3,(H,19,20,24).
What are the key properties of 2-(3-methoxypropyl)-8-(6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
2-(3-methoxypropyl)-8-(6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 362.43 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropyl)-8-(6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70708543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).