5-[2-[7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione

C17H24N4O5 — CID 72896619

IUPAC5-[2-[7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]cc(CC(=O)N2CCC3(CCCN(CCO)C3=O)C2)c1=O
InChIInChI=1S/C17H24N4O5/c1-19-14(24)12(10-18-16(19)26)9-13(23)21-6-4-17(11-21)3-2-5-20(7-8-22)15(17)25/h10,22H,2-9,11H2,1H3,(H,18,26)
InChIKeyFBNXNLZCZQKODF-UHFFFAOYSA-N
MW364.40 g/mol
LogP-1.55
Rot. Bonds4

About 5-[2-[7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione

5-[2-[7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione (PubChem CID 72896619) has the molecular formula C17H24N4O5 and a molecular weight of 364.40 g/mol. Its IUPAC name is 5-[2-[7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-3-methyl-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]-3-methyl-1H-pyrimidine-2,4-dione
PubChem CID72896619
Molecular FormulaC17H24N4O5
Molecular Weight364.40 g/mol
Exact Mass364.17
IUPAC Name5-[2-[7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]cc(CC(=O)N2CCC3(CCCN(CCO)C3=O)C2)c1=O
InChIInChI=1S/C17H24N4O5/c1-19-14(24)12(10-18-16(19)26)9-13(23)21-6-4-17(11-21)3-2-5-20(7-8-22)15(17)25/h10,22H,2-9,11H2,1H3,(H,18,26)
InChIKeyFBNXNLZCZQKODF-UHFFFAOYSA-N
XLogP-1.55
TPSA115.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 5-1.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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]-3-methyl-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]-3-methyl-1H-pyrimidine-2,4-dione (CID 72896619) is 5-[2-[7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-3-methyl-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]-3-methyl-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]-3-methyl-1H-pyrimidine-2,4-dione is Cn1c(=O)[nH]cc(CC(=O)N2CCC3(CCCN(CCO)C3=O)C2)c1=O.
What is the InChIKey of 5-[2-[7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is FBNXNLZCZQKODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O5/c1-19-14(24)12(10-18-16(19)26)9-13(23)21-6-4-17(11-21)3-2-5-20(7-8-22)15(17)25/h10,22H,2-9,11H2,1H3,(H,18,26).
What are the key properties of 5-[2-[7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione?
5-[2-[7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 364.40 g/mol, XLogP of -1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 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]-3-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 72896619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).