1,3-dimethyl-5-[2-(3-methyl-2,4-dioxo-1,3-diazetidin-1-yl)ethyl]-1,3,5-triazinane-2,4,6-trione

C10H13N5O5 — CID 130458478

IUPAC1,3-dimethyl-5-[2-(3-methyl-2,4-dioxo-1,3-diazetidin-1-yl)ethyl]-1,3,5-triazinane-2,4,6-trione
SMILESCN1C(=O)N(CCn2c(=O)n(C)c(=O)n(C)c2=O)C1=O
InChIInChI=1S/C10H13N5O5/c1-11-6(16)12(2)8(18)14(7(11)17)4-5-15-9(19)13(3)10(15)20/h4-5H2,1-3H3
InChIKeyONEAPQUGKBAORK-UHFFFAOYSA-N
MW283.24 g/mol
LogP-2.27
Rot. Bonds3

About 1,3-dimethyl-5-[2-(3-methyl-2,4-dioxo-1,3-diazetidin-1-yl)ethyl]-1,3,5-triazinane-2,4,6-trione

1,3-dimethyl-5-[2-(3-methyl-2,4-dioxo-1,3-diazetidin-1-yl)ethyl]-1,3,5-triazinane-2,4,6-trione (PubChem CID 130458478) has the molecular formula C10H13N5O5 and a molecular weight of 283.24 g/mol. Its IUPAC name is 1,3-dimethyl-5-[2-(3-methyl-2,4-dioxo-1,3-diazetidin-1-yl)ethyl]-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-dimethyl-5-[2-(3-methyl-2,4-dioxo-1,3-diazetidin-1-yl)ethyl]-1,3,5-triazinane-2,4,6-trione
PubChem CID130458478
Molecular FormulaC10H13N5O5
Molecular Weight283.24 g/mol
Exact Mass283.09
IUPAC Name1,3-dimethyl-5-[2-(3-methyl-2,4-dioxo-1,3-diazetidin-1-yl)ethyl]-1,3,5-triazinane-2,4,6-trione
SMILESCN1C(=O)N(CCn2c(=O)n(C)c(=O)n(C)c2=O)C1=O
InChIInChI=1S/C10H13N5O5/c1-11-6(16)12(2)8(18)14(7(11)17)4-5-15-9(19)13(3)10(15)20/h4-5H2,1-3H3
InChIKeyONEAPQUGKBAORK-UHFFFAOYSA-N
XLogP-2.27
TPSA106.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 5-2.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[2-(3-methyl-2,4-dioxo-1,3-diazetidin-1-yl)ethyl]-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3-dimethyl-5-[2-(3-methyl-2,4-dioxo-1,3-diazetidin-1-yl)ethyl]-1,3,5-triazinane-2,4,6-trione (CID 130458478) is 1,3-dimethyl-5-[2-(3-methyl-2,4-dioxo-1,3-diazetidin-1-yl)ethyl]-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3-dimethyl-5-[2-(3-methyl-2,4-dioxo-1,3-diazetidin-1-yl)ethyl]-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3-dimethyl-5-[2-(3-methyl-2,4-dioxo-1,3-diazetidin-1-yl)ethyl]-1,3,5-triazinane-2,4,6-trione is CN1C(=O)N(CCn2c(=O)n(C)c(=O)n(C)c2=O)C1=O.
What is the InChIKey of 1,3-dimethyl-5-[2-(3-methyl-2,4-dioxo-1,3-diazetidin-1-yl)ethyl]-1,3,5-triazinane-2,4,6-trione?
The InChIKey is ONEAPQUGKBAORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O5/c1-11-6(16)12(2)8(18)14(7(11)17)4-5-15-9(19)13(3)10(15)20/h4-5H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-[2-(3-methyl-2,4-dioxo-1,3-diazetidin-1-yl)ethyl]-1,3,5-triazinane-2,4,6-trione?
1,3-dimethyl-5-[2-(3-methyl-2,4-dioxo-1,3-diazetidin-1-yl)ethyl]-1,3,5-triazinane-2,4,6-trione has a molecular weight of 283.24 g/mol, XLogP of -2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[2-(3-methyl-2,4-dioxo-1,3-diazetidin-1-yl)ethyl]-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 130458478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).