2-ethyl-9-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one

C17H24N4O3 — CID 72918710

IUPAC2-ethyl-9-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCC1=O)CCN(C(=O)c1cnc(C)[nH]c1=O)CC2
InChIInChI=1S/C17H24N4O3/c1-3-20-11-17(5-4-14(20)22)6-8-21(9-7-17)16(24)13-10-18-12(2)19-15(13)23/h10H,3-9,11H2,1-2H3,(H,18,19,23)
InChIKeyFIOVTJOZKCIMOC-UHFFFAOYSA-N
MW332.40 g/mol
LogP0.94
Rot. Bonds2

About 2-ethyl-9-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one

2-ethyl-9-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72918710) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-ethyl-9-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-ethyl-9-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72918710
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name2-ethyl-9-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCC1=O)CCN(C(=O)c1cnc(C)[nH]c1=O)CC2
InChIInChI=1S/C17H24N4O3/c1-3-20-11-17(5-4-14(20)22)6-8-21(9-7-17)16(24)13-10-18-12(2)19-15(13)23/h10H,3-9,11H2,1-2H3,(H,18,19,23)
InChIKeyFIOVTJOZKCIMOC-UHFFFAOYSA-N
XLogP0.94
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-9-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-ethyl-9-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 72918710) is 2-ethyl-9-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-ethyl-9-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-ethyl-9-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one is CCN1CC2(CCC1=O)CCN(C(=O)c1cnc(C)[nH]c1=O)CC2.
What is the InChIKey of 2-ethyl-9-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is FIOVTJOZKCIMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-3-20-11-17(5-4-14(20)22)6-8-21(9-7-17)16(24)13-10-18-12(2)19-15(13)23/h10H,3-9,11H2,1-2H3,(H,18,19,23).
What are the key properties of 2-ethyl-9-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
2-ethyl-9-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 332.40 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-9-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72918710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).