5-[2-[2-(cyclopropylmethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione

C19H26N4O4 — CID 72846870

IUPAC5-[2-[2-(cyclopropylmethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESO=C(Cc1c[nH]c(=O)[nH]c1=O)N1CCC2(CCC(=O)N(CC3CC3)C2)CC1
InChIInChI=1S/C19H26N4O4/c24-15-3-4-19(12-23(15)11-13-1-2-13)5-7-22(8-6-19)16(25)9-14-10-20-18(27)21-17(14)26/h10,13H,1-9,11-12H2,(H2,20,21,26,27)
InChIKeyDBGIEPXKWSDUIZ-UHFFFAOYSA-N
MW374.44 g/mol
LogP0.25
Rot. Bonds4

About 5-[2-[2-(cyclopropylmethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione

5-[2-[2-(cyclopropylmethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione (PubChem CID 72846870) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is 5-[2-[2-(cyclopropylmethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[2-[2-(cyclopropylmethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
PubChem CID72846870
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Name5-[2-[2-(cyclopropylmethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESO=C(Cc1c[nH]c(=O)[nH]c1=O)N1CCC2(CCC(=O)N(CC3CC3)C2)CC1
InChIInChI=1S/C19H26N4O4/c24-15-3-4-19(12-23(15)11-13-1-2-13)5-7-22(8-6-19)16(25)9-14-10-20-18(27)21-17(14)26/h10,13H,1-9,11-12H2,(H2,20,21,26,27)
InChIKeyDBGIEPXKWSDUIZ-UHFFFAOYSA-N
XLogP0.25
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(cyclopropylmethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[2-[2-(cyclopropylmethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione (CID 72846870) is 5-[2-[2-(cyclopropylmethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[2-[2-(cyclopropylmethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[2-[2-(cyclopropylmethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione is O=C(Cc1c[nH]c(=O)[nH]c1=O)N1CCC2(CCC(=O)N(CC3CC3)C2)CC1.
What is the InChIKey of 5-[2-[2-(cyclopropylmethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is DBGIEPXKWSDUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4/c24-15-3-4-19(12-23(15)11-13-1-2-13)5-7-22(8-6-19)16(25)9-14-10-20-18(27)21-17(14)26/h10,13H,1-9,11-12H2,(H2,20,21,26,27).
What are the key properties of 5-[2-[2-(cyclopropylmethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
5-[2-[2-(cyclopropylmethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 374.44 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(cyclopropylmethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 72846870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).