6-(2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl)-1,3-dimethylpyrimidine-2,4-dione

C19H26N4O4 — CID 72898654

IUPAC6-(2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(C(=O)N2CCCC3(CCC(=O)N(C4CC4)C3)C2)cc(=O)n(C)c1=O
InChIInChI=1S/C19H26N4O4/c1-20-14(10-16(25)21(2)18(20)27)17(26)22-9-3-7-19(11-22)8-6-15(24)23(12-19)13-4-5-13/h10,13H,3-9,11-12H2,1-2H3
InChIKeyKAKYOAZDVTZICB-UHFFFAOYSA-N
MW374.44 g/mol
LogP0.09
Rot. Bonds2

About 6-(2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl)-1,3-dimethylpyrimidine-2,4-dione

6-(2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl)-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 72898654) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is 6-(2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl)-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl)-1,3-dimethylpyrimidine-2,4-dione
PubChem CID72898654
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Name6-(2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(C(=O)N2CCCC3(CCC(=O)N(C4CC4)C3)C2)cc(=O)n(C)c1=O
InChIInChI=1S/C19H26N4O4/c1-20-14(10-16(25)21(2)18(20)27)17(26)22-9-3-7-19(11-22)8-6-15(24)23(12-19)13-4-5-13/h10,13H,3-9,11-12H2,1-2H3
InChIKeyKAKYOAZDVTZICB-UHFFFAOYSA-N
XLogP0.09
TPSA84.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl)-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-(2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl)-1,3-dimethylpyrimidine-2,4-dione (CID 72898654) is 6-(2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl)-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-(2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl)-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-(2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl)-1,3-dimethylpyrimidine-2,4-dione is Cn1c(C(=O)N2CCCC3(CCC(=O)N(C4CC4)C3)C2)cc(=O)n(C)c1=O.
What is the InChIKey of 6-(2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl)-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is KAKYOAZDVTZICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-20-14(10-16(25)21(2)18(20)27)17(26)22-9-3-7-19(11-22)8-6-15(24)23(12-19)13-4-5-13/h10,13H,3-9,11-12H2,1-2H3.
What are the key properties of 6-(2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl)-1,3-dimethylpyrimidine-2,4-dione?
6-(2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl)-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 374.44 g/mol, XLogP of 0.09, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl)-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 72898654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).