6-[ethenyl(methyl)amino]-5-methyl-1,3-diazinane-2,4-dione

C8H13N3O2 — CID 77439717

IUPAC6-[ethenyl(methyl)amino]-5-methyl-1,3-diazinane-2,4-dione
SMILESC=CN(C)C1NC(=O)NC(=O)C1C
InChIInChI=1S/C8H13N3O2/c1-4-11(3)6-5(2)7(12)10-8(13)9-6/h4-6H,1H2,2-3H3,(H2,9,10,12,13)
InChIKeyLTHUGHQJBKUVBN-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.14
Rot. Bonds2

About 6-[ethenyl(methyl)amino]-5-methyl-1,3-diazinane-2,4-dione

6-[ethenyl(methyl)amino]-5-methyl-1,3-diazinane-2,4-dione (PubChem CID 77439717) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 6-[ethenyl(methyl)amino]-5-methyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name6-[ethenyl(methyl)amino]-5-methyl-1,3-diazinane-2,4-dione
PubChem CID77439717
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name6-[ethenyl(methyl)amino]-5-methyl-1,3-diazinane-2,4-dione
SMILESC=CN(C)C1NC(=O)NC(=O)C1C
InChIInChI=1S/C8H13N3O2/c1-4-11(3)6-5(2)7(12)10-8(13)9-6/h4-6H,1H2,2-3H3,(H2,9,10,12,13)
InChIKeyLTHUGHQJBKUVBN-UHFFFAOYSA-N
XLogP-0.14
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[ethenyl(methyl)amino]-5-methyl-1,3-diazinane-2,4-dione?
The IUPAC name of 6-[ethenyl(methyl)amino]-5-methyl-1,3-diazinane-2,4-dione (CID 77439717) is 6-[ethenyl(methyl)amino]-5-methyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 6-[ethenyl(methyl)amino]-5-methyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 6-[ethenyl(methyl)amino]-5-methyl-1,3-diazinane-2,4-dione is C=CN(C)C1NC(=O)NC(=O)C1C.
What is the InChIKey of 6-[ethenyl(methyl)amino]-5-methyl-1,3-diazinane-2,4-dione?
The InChIKey is LTHUGHQJBKUVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-4-11(3)6-5(2)7(12)10-8(13)9-6/h4-6H,1H2,2-3H3,(H2,9,10,12,13).
What are the key properties of 6-[ethenyl(methyl)amino]-5-methyl-1,3-diazinane-2,4-dione?
6-[ethenyl(methyl)amino]-5-methyl-1,3-diazinane-2,4-dione has a molecular weight of 183.21 g/mol, XLogP of -0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethenyl(methyl)amino]-5-methyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 77439717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).