9-(2-methoxyethyl)-1-(6-oxo-1H-pyrimidine-5-carbonyl)-1,9-diazaspiro[4.5]decan-10-one

C16H22N4O4 — CID 162626437

IUPAC9-(2-methoxyethyl)-1-(6-oxo-1H-pyrimidine-5-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESCOCCN1CCCC2(CCCN2C(=O)c2cnc[nH]c2=O)C1=O
InChIInChI=1S/C16H22N4O4/c1-24-9-8-19-6-2-4-16(15(19)23)5-3-7-20(16)14(22)12-10-17-11-18-13(12)21/h10-11H,2-9H2,1H3,(H,17,18,21)
InChIKeyRMKVNLXDELESOT-UHFFFAOYSA-N
MW334.38 g/mol
LogP0.01
Rot. Bonds4

About 9-(2-methoxyethyl)-1-(6-oxo-1H-pyrimidine-5-carbonyl)-1,9-diazaspiro[4.5]decan-10-one

9-(2-methoxyethyl)-1-(6-oxo-1H-pyrimidine-5-carbonyl)-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162626437) has the molecular formula C16H22N4O4 and a molecular weight of 334.38 g/mol. Its IUPAC name is 9-(2-methoxyethyl)-1-(6-oxo-1H-pyrimidine-5-carbonyl)-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name9-(2-methoxyethyl)-1-(6-oxo-1H-pyrimidine-5-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162626437
Molecular FormulaC16H22N4O4
Molecular Weight334.38 g/mol
Exact Mass334.16
IUPAC Name9-(2-methoxyethyl)-1-(6-oxo-1H-pyrimidine-5-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESCOCCN1CCCC2(CCCN2C(=O)c2cnc[nH]c2=O)C1=O
InChIInChI=1S/C16H22N4O4/c1-24-9-8-19-6-2-4-16(15(19)23)5-3-7-20(16)14(22)12-10-17-11-18-13(12)21/h10-11H,2-9H2,1H3,(H,17,18,21)
InChIKeyRMKVNLXDELESOT-UHFFFAOYSA-N
XLogP0.01
TPSA95.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(2-methoxyethyl)-1-(6-oxo-1H-pyrimidine-5-carbonyl)-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 9-(2-methoxyethyl)-1-(6-oxo-1H-pyrimidine-5-carbonyl)-1,9-diazaspiro[4.5]decan-10-one (CID 162626437) is 9-(2-methoxyethyl)-1-(6-oxo-1H-pyrimidine-5-carbonyl)-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 9-(2-methoxyethyl)-1-(6-oxo-1H-pyrimidine-5-carbonyl)-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 9-(2-methoxyethyl)-1-(6-oxo-1H-pyrimidine-5-carbonyl)-1,9-diazaspiro[4.5]decan-10-one is COCCN1CCCC2(CCCN2C(=O)c2cnc[nH]c2=O)C1=O.
What is the InChIKey of 9-(2-methoxyethyl)-1-(6-oxo-1H-pyrimidine-5-carbonyl)-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is RMKVNLXDELESOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4/c1-24-9-8-19-6-2-4-16(15(19)23)5-3-7-20(16)14(22)12-10-17-11-18-13(12)21/h10-11H,2-9H2,1H3,(H,17,18,21).
What are the key properties of 9-(2-methoxyethyl)-1-(6-oxo-1H-pyrimidine-5-carbonyl)-1,9-diazaspiro[4.5]decan-10-one?
9-(2-methoxyethyl)-1-(6-oxo-1H-pyrimidine-5-carbonyl)-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 334.38 g/mol, XLogP of 0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methoxyethyl)-1-(6-oxo-1H-pyrimidine-5-carbonyl)-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162626437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).