6-(2,4-dimethylphenyl)-1,3,5-triazinane-2,4-dione

C11H13N3O2 — CID 54018694

IUPAC6-(2,4-dimethylphenyl)-1,3,5-triazinane-2,4-dione
SMILESCc1ccc(C2NC(=O)NC(=O)N2)c(C)c1
InChIInChI=1S/C11H13N3O2/c1-6-3-4-8(7(2)5-6)9-12-10(15)14-11(16)13-9/h3-5,9H,1-2H3,(H3,12,13,14,15,16)
InChIKeyKXJXSIQCCKTTCF-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.32
Rot. Bonds1

About 6-(2,4-dimethylphenyl)-1,3,5-triazinane-2,4-dione

6-(2,4-dimethylphenyl)-1,3,5-triazinane-2,4-dione (PubChem CID 54018694) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 6-(2,4-dimethylphenyl)-1,3,5-triazinane-2,4-dione.

Molecular Properties

Compound Name6-(2,4-dimethylphenyl)-1,3,5-triazinane-2,4-dione
PubChem CID54018694
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name6-(2,4-dimethylphenyl)-1,3,5-triazinane-2,4-dione
SMILESCc1ccc(C2NC(=O)NC(=O)N2)c(C)c1
InChIInChI=1S/C11H13N3O2/c1-6-3-4-8(7(2)5-6)9-12-10(15)14-11(16)13-9/h3-5,9H,1-2H3,(H3,12,13,14,15,16)
InChIKeyKXJXSIQCCKTTCF-UHFFFAOYSA-N
XLogP1.32
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2,4-dimethylphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 51374346
3-amino-4-(2,4-dimethylphenyl)azetidin-2-one
CID 82403930
methyl (4S,5R)-4-(2,4-dimethylphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate
CID 2377256
3-chloro-4-(2,4-dimethylphenyl)pyrrolidine-2,5-dione
CID 106695027
(4R)-5-(4-chlorobenzoyl)-4-(2,4-dimethylphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 7858259
(4S)-4-(2,4-dimethylphenyl)-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 7858300
2-methoxyethyl (4S)-4-(2,4-dimethylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7733634
(4S)-4-(2,4-dimethylphenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171187242
(4S)-4-(2,4-dimethylphenyl)-5,5-difluoro-1,3-oxazinan-2-one
CID 171187237
4-(2,4-dimethylphenyl)-2-oxoimidazolidine-1-carbonitrile
CID 116979999
4-(2-bromo-4-methylphenyl)-5-iminoimidazolidin-2-one
CID 138391344
(4R,5S)-4-(2,4-dimethylphenyl)-6-methylidene-5-(morpholine-4-carbonyl)-1,3-diazinan-2-one
CID 2377246

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethylphenyl)-1,3,5-triazinane-2,4-dione?
The IUPAC name of 6-(2,4-dimethylphenyl)-1,3,5-triazinane-2,4-dione (CID 54018694) is 6-(2,4-dimethylphenyl)-1,3,5-triazinane-2,4-dione.
What is the SMILES notation for 6-(2,4-dimethylphenyl)-1,3,5-triazinane-2,4-dione?
The canonical SMILES for 6-(2,4-dimethylphenyl)-1,3,5-triazinane-2,4-dione is Cc1ccc(C2NC(=O)NC(=O)N2)c(C)c1.
What is the InChIKey of 6-(2,4-dimethylphenyl)-1,3,5-triazinane-2,4-dione?
The InChIKey is KXJXSIQCCKTTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-6-3-4-8(7(2)5-6)9-12-10(15)14-11(16)13-9/h3-5,9H,1-2H3,(H3,12,13,14,15,16).
What are the key properties of 6-(2,4-dimethylphenyl)-1,3,5-triazinane-2,4-dione?
6-(2,4-dimethylphenyl)-1,3,5-triazinane-2,4-dione has a molecular weight of 219.24 g/mol, XLogP of 1.32, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethylphenyl)-1,3,5-triazinane-2,4-dione is sourced from PubChem (CID 54018694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).