5-methyl-1-[2-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-2-oxoethyl]pyrimidine-2,4-dione

C16H24N4O4 — CID 139598835

IUPAC5-methyl-1-[2-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-2-oxoethyl]pyrimidine-2,4-dione
SMILESCc1cn(CC(=O)N2CCN(C)C3(CCOCC3)C2)c(=O)[nH]c1=O
InChIInChI=1S/C16H24N4O4/c1-12-9-20(15(23)17-14(12)22)10-13(21)19-6-5-18(2)16(11-19)3-7-24-8-4-16/h9H,3-8,10-11H2,1-2H3,(H,17,22,23)
InChIKeyKNGLMWYQKHRXBJ-UHFFFAOYSA-N
MW336.39 g/mol
LogP-0.83
Rot. Bonds2

About 5-methyl-1-[2-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-2-oxoethyl]pyrimidine-2,4-dione

5-methyl-1-[2-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-2-oxoethyl]pyrimidine-2,4-dione (PubChem CID 139598835) has the molecular formula C16H24N4O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is 5-methyl-1-[2-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-2-oxoethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-[2-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-2-oxoethyl]pyrimidine-2,4-dione
PubChem CID139598835
Molecular FormulaC16H24N4O4
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC Name5-methyl-1-[2-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-2-oxoethyl]pyrimidine-2,4-dione
SMILESCc1cn(CC(=O)N2CCN(C)C3(CCOCC3)C2)c(=O)[nH]c1=O
InChIInChI=1S/C16H24N4O4/c1-12-9-20(15(23)17-14(12)22)10-13(21)19-6-5-18(2)16(11-19)3-7-24-8-4-16/h9H,3-8,10-11H2,1-2H3,(H,17,22,23)
InChIKeyKNGLMWYQKHRXBJ-UHFFFAOYSA-N
XLogP-0.83
TPSA87.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-1-[2-(3-methyl-3-phenylpiperidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione
CID 72875718
5-methyl-1-[2-oxo-2-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethyl]pyrimidine-2,4-dione
CID 170510152
5-methyl-1-[2-[2-(3-methylbut-2-enyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 72872280
5-methyl-1-[2-oxo-2-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]ethyl]pyrimidine-2,4-dione
CID 53299297
1-[2-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione
CID 126450682
5-methyl-1-[2-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 70783415
5-methyl-1-[2-[1-(3-methylbutyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 157017676
5-methyl-1-[2-[4-(4-nitrophenyl)sulfonyl-3-oxopiperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 22222418
4-[2-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-oxoethyl]morpholine-3,5-dione
CID 56756430
methyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate
CID 3757668
(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-(3-methyl-1-propylpyrazol-4-yl)methanone
CID 138807598
1-[2-[(3aR,7aS)-5-methyl-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione
CID 91796498

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[2-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-2-oxoethyl]pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-1-[2-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-2-oxoethyl]pyrimidine-2,4-dione (CID 139598835) is 5-methyl-1-[2-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-2-oxoethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-1-[2-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-2-oxoethyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-1-[2-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-2-oxoethyl]pyrimidine-2,4-dione is Cc1cn(CC(=O)N2CCN(C)C3(CCOCC3)C2)c(=O)[nH]c1=O.
What is the InChIKey of 5-methyl-1-[2-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-2-oxoethyl]pyrimidine-2,4-dione?
The InChIKey is KNGLMWYQKHRXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4/c1-12-9-20(15(23)17-14(12)22)10-13(21)19-6-5-18(2)16(11-19)3-7-24-8-4-16/h9H,3-8,10-11H2,1-2H3,(H,17,22,23).
What are the key properties of 5-methyl-1-[2-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-2-oxoethyl]pyrimidine-2,4-dione?
5-methyl-1-[2-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-2-oxoethyl]pyrimidine-2,4-dione has a molecular weight of 336.39 g/mol, XLogP of -0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[2-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-2-oxoethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 139598835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).