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

C16H22N4O4 — CID 72857380

IUPAC3-methyl-5-[2-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESCN1CCCC2(CCN(C(=O)Cc3c[nH]c(=O)n(C)c3=O)C2)C1=O
InChIInChI=1S/C16H22N4O4/c1-18-6-3-4-16(14(18)23)5-7-20(10-16)12(21)8-11-9-17-15(24)19(2)13(11)22/h9H,3-8,10H2,1-2H3,(H,17,24)
InChIKeyUOWBANOENHYSCJ-UHFFFAOYSA-N
MW334.38 g/mol
LogP-0.91
Rot. Bonds2

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

3-methyl-5-[2-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione (PubChem CID 72857380) has the molecular formula C16H22N4O4 and a molecular weight of 334.38 g/mol. Its IUPAC name is 3-methyl-5-[2-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-5-[2-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione
PubChem CID72857380
Molecular FormulaC16H22N4O4
Molecular Weight334.38 g/mol
Exact Mass334.16
IUPAC Name3-methyl-5-[2-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESCN1CCCC2(CCN(C(=O)Cc3c[nH]c(=O)n(C)c3=O)C2)C1=O
InChIInChI=1S/C16H22N4O4/c1-18-6-3-4-16(14(18)23)5-7-20(10-16)12(21)8-11-9-17-15(24)19(2)13(11)22/h9H,3-8,10H2,1-2H3,(H,17,24)
InChIKeyUOWBANOENHYSCJ-UHFFFAOYSA-N
XLogP-0.91
TPSA95.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 5-0.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[2-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-methyl-5-[2-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione (CID 72857380) is 3-methyl-5-[2-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-methyl-5-[2-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-methyl-5-[2-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione is CN1CCCC2(CCN(C(=O)Cc3c[nH]c(=O)n(C)c3=O)C2)C1=O.
What is the InChIKey of 3-methyl-5-[2-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is UOWBANOENHYSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4/c1-18-6-3-4-16(14(18)23)5-7-20(10-16)12(21)8-11-9-17-15(24)19(2)13(11)22/h9H,3-8,10H2,1-2H3,(H,17,24).
What are the key properties of 3-methyl-5-[2-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione?
3-methyl-5-[2-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 334.38 g/mol, XLogP of -0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[2-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 72857380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).