1-(2,5-dimethyl-4-propan-2-ylphenyl)-6-methyl-1,3-diazinane-2,4-dione

C16H22N2O2 — CID 15945659

IUPAC1-(2,5-dimethyl-4-propan-2-ylphenyl)-6-methyl-1,3-diazinane-2,4-dione
SMILESCc1cc(N2C(=O)NC(=O)CC2C)c(C)cc1C(C)C
InChIInChI=1S/C16H22N2O2/c1-9(2)13-6-11(4)14(7-10(13)3)18-12(5)8-15(19)17-16(18)20/h6-7,9,12H,8H2,1-5H3,(H,17,19,20)
InChIKeyVZMBXNPGVCXCFI-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.26
Rot. Bonds2

About 1-(2,5-dimethyl-4-propan-2-ylphenyl)-6-methyl-1,3-diazinane-2,4-dione

1-(2,5-dimethyl-4-propan-2-ylphenyl)-6-methyl-1,3-diazinane-2,4-dione (PubChem CID 15945659) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-(2,5-dimethyl-4-propan-2-ylphenyl)-6-methyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(2,5-dimethyl-4-propan-2-ylphenyl)-6-methyl-1,3-diazinane-2,4-dione
PubChem CID15945659
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-(2,5-dimethyl-4-propan-2-ylphenyl)-6-methyl-1,3-diazinane-2,4-dione
SMILESCc1cc(N2C(=O)NC(=O)CC2C)c(C)cc1C(C)C
InChIInChI=1S/C16H22N2O2/c1-9(2)13-6-11(4)14(7-10(13)3)18-12(5)8-15(19)17-16(18)20/h6-7,9,12H,8H2,1-5H3,(H,17,19,20)
InChIKeyVZMBXNPGVCXCFI-UHFFFAOYSA-N
XLogP3.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-4-propan-2-ylphenyl)-6-methyl-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(2,5-dimethyl-4-propan-2-ylphenyl)-6-methyl-1,3-diazinane-2,4-dione (CID 15945659) is 1-(2,5-dimethyl-4-propan-2-ylphenyl)-6-methyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(2,5-dimethyl-4-propan-2-ylphenyl)-6-methyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(2,5-dimethyl-4-propan-2-ylphenyl)-6-methyl-1,3-diazinane-2,4-dione is Cc1cc(N2C(=O)NC(=O)CC2C)c(C)cc1C(C)C.
What is the InChIKey of 1-(2,5-dimethyl-4-propan-2-ylphenyl)-6-methyl-1,3-diazinane-2,4-dione?
The InChIKey is VZMBXNPGVCXCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-9(2)13-6-11(4)14(7-10(13)3)18-12(5)8-15(19)17-16(18)20/h6-7,9,12H,8H2,1-5H3,(H,17,19,20).
What are the key properties of 1-(2,5-dimethyl-4-propan-2-ylphenyl)-6-methyl-1,3-diazinane-2,4-dione?
1-(2,5-dimethyl-4-propan-2-ylphenyl)-6-methyl-1,3-diazinane-2,4-dione has a molecular weight of 274.36 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-4-propan-2-ylphenyl)-6-methyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 15945659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).