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

C16H22N4O5 — CID 72899822

IUPAC5-[2-[7-(2-hydroxyethyl)-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(CCO)C2=O)C1
InChIInChI=1S/C16H22N4O5/c21-7-6-19-4-1-2-16(14(19)24)3-5-20(10-16)12(22)8-11-9-17-15(25)18-13(11)23/h9,21H,1-8,10H2,(H2,17,18,23,25)
InChIKeyXZPITVGDECZDPQ-UHFFFAOYSA-N
MW350.38 g/mol
LogP-1.56
Rot. Bonds4

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

5-[2-[7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione (PubChem CID 72899822) has the molecular formula C16H22N4O5 and a molecular weight of 350.38 g/mol. Its IUPAC name is 5-[2-[7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[2-[7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
PubChem CID72899822
Molecular FormulaC16H22N4O5
Molecular Weight350.38 g/mol
Exact Mass350.16
IUPAC Name5-[2-[7-(2-hydroxyethyl)-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(CCO)C2=O)C1
InChIInChI=1S/C16H22N4O5/c21-7-6-19-4-1-2-16(14(19)24)3-5-20(10-16)12(22)8-11-9-17-15(25)18-13(11)23/h9,21H,1-8,10H2,(H2,17,18,23,25)
InChIKeyXZPITVGDECZDPQ-UHFFFAOYSA-N
XLogP-1.56
TPSA126.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 5-1.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[2-[7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione (CID 72899822) is 5-[2-[7-(2-hydroxyethyl)-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-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[2-[7-(2-hydroxyethyl)-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(CCO)C2=O)C1.
What is the InChIKey of 5-[2-[7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is XZPITVGDECZDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O5/c21-7-6-19-4-1-2-16(14(19)24)3-5-20(10-16)12(22)8-11-9-17-15(25)18-13(11)23/h9,21H,1-8,10H2,(H2,17,18,23,25).
What are the key properties of 5-[2-[7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
5-[2-[7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 350.38 g/mol, XLogP of -1.56, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 72899822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).