5,6-dimethyl-1-propyl-1,3-diazinane-2,4-dione

C9H16N2O2 — CID 123482256

IUPAC5,6-dimethyl-1-propyl-1,3-diazinane-2,4-dione
SMILESCCCN1C(=O)NC(=O)C(C)C1C
InChIInChI=1S/C9H16N2O2/c1-4-5-11-7(3)6(2)8(12)10-9(11)13/h6-7H,4-5H2,1-3H3,(H,10,12,13)
InChIKeySFUURFNFXOFUGW-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.97
Rot. Bonds2

About 5,6-dimethyl-1-propyl-1,3-diazinane-2,4-dione

5,6-dimethyl-1-propyl-1,3-diazinane-2,4-dione (PubChem CID 123482256) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 5,6-dimethyl-1-propyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5,6-dimethyl-1-propyl-1,3-diazinane-2,4-dione
PubChem CID123482256
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name5,6-dimethyl-1-propyl-1,3-diazinane-2,4-dione
SMILESCCCN1C(=O)NC(=O)C(C)C1C
InChIInChI=1S/C9H16N2O2/c1-4-5-11-7(3)6(2)8(12)10-9(11)13/h6-7H,4-5H2,1-3H3,(H,10,12,13)
InChIKeySFUURFNFXOFUGW-UHFFFAOYSA-N
XLogP0.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-1-propyl-1,3-diazinane-2,4-dione?
The IUPAC name of 5,6-dimethyl-1-propyl-1,3-diazinane-2,4-dione (CID 123482256) is 5,6-dimethyl-1-propyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5,6-dimethyl-1-propyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 5,6-dimethyl-1-propyl-1,3-diazinane-2,4-dione is CCCN1C(=O)NC(=O)C(C)C1C.
What is the InChIKey of 5,6-dimethyl-1-propyl-1,3-diazinane-2,4-dione?
The InChIKey is SFUURFNFXOFUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-4-5-11-7(3)6(2)8(12)10-9(11)13/h6-7H,4-5H2,1-3H3,(H,10,12,13).
What are the key properties of 5,6-dimethyl-1-propyl-1,3-diazinane-2,4-dione?
5,6-dimethyl-1-propyl-1,3-diazinane-2,4-dione has a molecular weight of 184.24 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-1-propyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 123482256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).