5-[2-(cyclopropylmethyl)-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl]-1H-pyrimidine-2,4-dione

C18H24N4O4 — CID 70744721

IUPAC5-[2-(cyclopropylmethyl)-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl]-1H-pyrimidine-2,4-dione
SMILESO=C1CCC2(CCCN(C(=O)c3c[nH]c(=O)[nH]c3=O)C2)CN1CC1CC1
InChIInChI=1S/C18H24N4O4/c23-14-4-6-18(11-22(14)9-12-2-3-12)5-1-7-21(10-18)16(25)13-8-19-17(26)20-15(13)24/h8,12H,1-7,9-11H2,(H2,19,20,24,26)
InChIKeyUXRAUPSQGNGAGS-UHFFFAOYSA-N
MW360.41 g/mol
LogP0.32
Rot. Bonds3

About 5-[2-(cyclopropylmethyl)-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl]-1H-pyrimidine-2,4-dione

5-[2-(cyclopropylmethyl)-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl]-1H-pyrimidine-2,4-dione (PubChem CID 70744721) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is 5-[2-(cyclopropylmethyl)-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[2-(cyclopropylmethyl)-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl]-1H-pyrimidine-2,4-dione
PubChem CID70744721
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Name5-[2-(cyclopropylmethyl)-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl]-1H-pyrimidine-2,4-dione
SMILESO=C1CCC2(CCCN(C(=O)c3c[nH]c(=O)[nH]c3=O)C2)CN1CC1CC1
InChIInChI=1S/C18H24N4O4/c23-14-4-6-18(11-22(14)9-12-2-3-12)5-1-7-21(10-18)16(25)13-8-19-17(26)20-15(13)24/h8,12H,1-7,9-11H2,(H2,19,20,24,26)
InChIKeyUXRAUPSQGNGAGS-UHFFFAOYSA-N
XLogP0.32
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclopropylmethyl)-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[2-(cyclopropylmethyl)-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl]-1H-pyrimidine-2,4-dione (CID 70744721) is 5-[2-(cyclopropylmethyl)-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[2-(cyclopropylmethyl)-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[2-(cyclopropylmethyl)-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl]-1H-pyrimidine-2,4-dione is O=C1CCC2(CCCN(C(=O)c3c[nH]c(=O)[nH]c3=O)C2)CN1CC1CC1.
What is the InChIKey of 5-[2-(cyclopropylmethyl)-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl]-1H-pyrimidine-2,4-dione?
The InChIKey is UXRAUPSQGNGAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4/c23-14-4-6-18(11-22(14)9-12-2-3-12)5-1-7-21(10-18)16(25)13-8-19-17(26)20-15(13)24/h8,12H,1-7,9-11H2,(H2,19,20,24,26).
What are the key properties of 5-[2-(cyclopropylmethyl)-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl]-1H-pyrimidine-2,4-dione?
5-[2-(cyclopropylmethyl)-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl]-1H-pyrimidine-2,4-dione has a molecular weight of 360.41 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclopropylmethyl)-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 70744721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).