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

C19H26N4O3 — CID 70736617

IUPAC8-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCCN(C(=O)c3cnc(C4CC4)[nH]c3=O)C2)CCC1=O
InChIInChI=1S/C19H26N4O3/c1-2-22-11-19(8-6-15(22)24)7-3-9-23(12-19)18(26)14-10-20-16(13-4-5-13)21-17(14)25/h10,13H,2-9,11-12H2,1H3,(H,20,21,25)
InChIKeyKLPMAYJXEOENHY-UHFFFAOYSA-N
MW358.44 g/mol
LogP1.51
Rot. Bonds3

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

8-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70736617) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 8-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name8-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70736617
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name8-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCCN(C(=O)c3cnc(C4CC4)[nH]c3=O)C2)CCC1=O
InChIInChI=1S/C19H26N4O3/c1-2-22-11-19(8-6-15(22)24)7-3-9-23(12-19)18(26)14-10-20-16(13-4-5-13)21-17(14)25/h10,13H,2-9,11-12H2,1H3,(H,20,21,25)
InChIKeyKLPMAYJXEOENHY-UHFFFAOYSA-N
XLogP1.51
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 8-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one (CID 70736617) is 8-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 8-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 8-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one is CCN1CC2(CCCN(C(=O)c3cnc(C4CC4)[nH]c3=O)C2)CCC1=O.
What is the InChIKey of 8-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is KLPMAYJXEOENHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-2-22-11-19(8-6-15(22)24)7-3-9-23(12-19)18(26)14-10-20-16(13-4-5-13)21-17(14)25/h10,13H,2-9,11-12H2,1H3,(H,20,21,25).
What are the key properties of 8-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one?
8-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 358.44 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70736617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).