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

C16H22N2O2 — CID 1235215

IUPAC(5S)-1-(2,5-dimethyl-4-propan-2-ylphenyl)-5-methyl-1,3-diazinane-2,4-dione
SMILESCc1cc(N2C[C@H](C)C(=O)NC2=O)c(C)cc1C(C)C
InChIInChI=1S/C16H22N2O2/c1-9(2)13-6-11(4)14(7-10(13)3)18-8-12(5)15(19)17-16(18)20/h6-7,9,12H,8H2,1-5H3,(H,17,19,20)/t12-/m0/s1
InChIKeyWBHZTQLZSFBHIA-LBPRGKRZSA-N
MW274.36 g/mol
LogP3.12
Rot. Bonds2

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

(5S)-1-(2,5-dimethyl-4-propan-2-ylphenyl)-5-methyl-1,3-diazinane-2,4-dione (PubChem CID 1235215) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (5S)-1-(2,5-dimethyl-4-propan-2-ylphenyl)-5-methyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name(5S)-1-(2,5-dimethyl-4-propan-2-ylphenyl)-5-methyl-1,3-diazinane-2,4-dione
PubChem CID1235215
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(5S)-1-(2,5-dimethyl-4-propan-2-ylphenyl)-5-methyl-1,3-diazinane-2,4-dione
SMILESCc1cc(N2C[C@H](C)C(=O)NC2=O)c(C)cc1C(C)C
InChIInChI=1S/C16H22N2O2/c1-9(2)13-6-11(4)14(7-10(13)3)18-8-12(5)15(19)17-16(18)20/h6-7,9,12H,8H2,1-5H3,(H,17,19,20)/t12-/m0/s1
InChIKeyWBHZTQLZSFBHIA-LBPRGKRZSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-1-(2,5-dimethyl-4-propan-2-ylphenyl)-5-methyl-1,3-diazinane-2,4-dione?
The IUPAC name of (5S)-1-(2,5-dimethyl-4-propan-2-ylphenyl)-5-methyl-1,3-diazinane-2,4-dione (CID 1235215) is (5S)-1-(2,5-dimethyl-4-propan-2-ylphenyl)-5-methyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for (5S)-1-(2,5-dimethyl-4-propan-2-ylphenyl)-5-methyl-1,3-diazinane-2,4-dione?
The canonical SMILES for (5S)-1-(2,5-dimethyl-4-propan-2-ylphenyl)-5-methyl-1,3-diazinane-2,4-dione is Cc1cc(N2C[C@H](C)C(=O)NC2=O)c(C)cc1C(C)C.
What is the InChIKey of (5S)-1-(2,5-dimethyl-4-propan-2-ylphenyl)-5-methyl-1,3-diazinane-2,4-dione?
The InChIKey is WBHZTQLZSFBHIA-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-9(2)13-6-11(4)14(7-10(13)3)18-8-12(5)15(19)17-16(18)20/h6-7,9,12H,8H2,1-5H3,(H,17,19,20)/t12-/m0/s1.
What are the key properties of (5S)-1-(2,5-dimethyl-4-propan-2-ylphenyl)-5-methyl-1,3-diazinane-2,4-dione?
(5S)-1-(2,5-dimethyl-4-propan-2-ylphenyl)-5-methyl-1,3-diazinane-2,4-dione has a molecular weight of 274.36 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-(2,5-dimethyl-4-propan-2-ylphenyl)-5-methyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 1235215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).