3-methyl-5-[2-(3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonan-7-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione

C14H18N4O5 — CID 56892297

IUPAC3-methyl-5-[2-(3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonan-7-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESCN1CC2(CCN(C(=O)Cc3c[nH]c(=O)n(C)c3=O)C2)OC1=O
InChIInChI=1S/C14H18N4O5/c1-16-7-14(23-13(16)22)3-4-18(8-14)10(19)5-9-6-15-12(21)17(2)11(9)20/h6H,3-5,7-8H2,1-2H3,(H,15,21)
InChIKeyOQPRCFXJLHVNON-UHFFFAOYSA-N
MW322.32 g/mol
LogP-1.33
Rot. Bonds2

About 3-methyl-5-[2-(3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonan-7-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione

3-methyl-5-[2-(3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonan-7-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione (PubChem CID 56892297) has the molecular formula C14H18N4O5 and a molecular weight of 322.32 g/mol. Its IUPAC name is 3-methyl-5-[2-(3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonan-7-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-5-[2-(3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonan-7-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione
PubChem CID56892297
Molecular FormulaC14H18N4O5
Molecular Weight322.32 g/mol
Exact Mass322.13
IUPAC Name3-methyl-5-[2-(3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonan-7-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESCN1CC2(CCN(C(=O)Cc3c[nH]c(=O)n(C)c3=O)C2)OC1=O
InChIInChI=1S/C14H18N4O5/c1-16-7-14(23-13(16)22)3-4-18(8-14)10(19)5-9-6-15-12(21)17(2)11(9)20/h6H,3-5,7-8H2,1-2H3,(H,15,21)
InChIKeyOQPRCFXJLHVNON-UHFFFAOYSA-N
XLogP-1.33
TPSA104.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 5-1.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-methyl-5-[2-(3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonan-7-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione with MolForge

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Launch Full Analysis

Related Compounds

5-[2-[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione
CID 133124600
3-methyl-5-[2-oxo-2-[(5R)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]-1H-pyrimidine-2,4-dione
CID 97133253
(5S)-3-methyl-7-[2-(5-oxo-2-phenylcyclopenten-1-yl)acetyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95723669
(5R)-7-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95726109
5-[2-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione
CID 164695394
7-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56911026
(5R)-3-methyl-7-(3-phenoxypropanoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95722803
(5R)-3-methyl-7-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95714736
5-[2-(6-hydroxy-1,4-oxazepan-4-yl)-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione
CID 70734355
8-[2-(2-bromo-4-chlorophenyl)acetyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 166330448
5-[2-[3-(1,3-benzodioxol-5-ylmethyl)-3-methylpiperidin-1-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione
CID 72909978
tert-butyl 3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxylate
CID 176720221

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[2-(3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonan-7-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-methyl-5-[2-(3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonan-7-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione (CID 56892297) is 3-methyl-5-[2-(3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonan-7-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-methyl-5-[2-(3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonan-7-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-methyl-5-[2-(3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonan-7-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione is CN1CC2(CCN(C(=O)Cc3c[nH]c(=O)n(C)c3=O)C2)OC1=O.
What is the InChIKey of 3-methyl-5-[2-(3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonan-7-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is OQPRCFXJLHVNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O5/c1-16-7-14(23-13(16)22)3-4-18(8-14)10(19)5-9-6-15-12(21)17(2)11(9)20/h6H,3-5,7-8H2,1-2H3,(H,15,21).
What are the key properties of 3-methyl-5-[2-(3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonan-7-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione?
3-methyl-5-[2-(3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonan-7-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 322.32 g/mol, XLogP of -1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[2-(3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonan-7-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 56892297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).