5-[2-[7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione

C18H24N4O4 — CID 72886683

IUPAC5-[2-[7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESO=C(Cc1c[nH]c(=O)[nH]c1=O)N1CCC2(CCCN(CC3CC3)C2=O)C1
InChIInChI=1S/C18H24N4O4/c23-14(8-13-9-19-17(26)20-15(13)24)22-7-5-18(11-22)4-1-6-21(16(18)25)10-12-2-3-12/h9,12H,1-8,10-11H2,(H2,19,20,24,26)
InChIKeyXBALLOXHSDCVJP-UHFFFAOYSA-N
MW360.41 g/mol
LogP-0.14
Rot. Bonds4

About 5-[2-[7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione

5-[2-[7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione (PubChem CID 72886683) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is 5-[2-[7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[2-[7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
PubChem CID72886683
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Name5-[2-[7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESO=C(Cc1c[nH]c(=O)[nH]c1=O)N1CCC2(CCCN(CC3CC3)C2=O)C1
InChIInChI=1S/C18H24N4O4/c23-14(8-13-9-19-17(26)20-15(13)24)22-7-5-18(11-22)4-1-6-21(16(18)25)10-12-2-3-12/h9,12H,1-8,10-11H2,(H2,19,20,24,26)
InChIKeyXBALLOXHSDCVJP-UHFFFAOYSA-N
XLogP-0.14
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[2-[7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione (CID 72886683) is 5-[2-[7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[2-[7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[2-[7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione is O=C(Cc1c[nH]c(=O)[nH]c1=O)N1CCC2(CCCN(CC3CC3)C2=O)C1.
What is the InChIKey of 5-[2-[7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is XBALLOXHSDCVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4/c23-14(8-13-9-19-17(26)20-15(13)24)22-7-5-18(11-22)4-1-6-21(16(18)25)10-12-2-3-12/h9,12H,1-8,10-11H2,(H2,19,20,24,26).
What are the key properties of 5-[2-[7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
5-[2-[7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 360.41 g/mol, XLogP of -0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 72886683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).