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

C14H18N2O2 — CID 170954148

IUPAC1-(2-methyl-3-propan-2-ylphenyl)-1,3-diazinane-2,4-dione
SMILESCc1c(C(C)C)cccc1N1CCC(=O)NC1=O
InChIInChI=1S/C14H18N2O2/c1-9(2)11-5-4-6-12(10(11)3)16-8-7-13(17)15-14(16)18/h4-6,9H,7-8H2,1-3H3,(H,15,17,18)
InChIKeyFRLFFCOYQBXZLV-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.56
Rot. Bonds2

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

1-(2-methyl-3-propan-2-ylphenyl)-1,3-diazinane-2,4-dione (PubChem CID 170954148) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-(2-methyl-3-propan-2-ylphenyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(2-methyl-3-propan-2-ylphenyl)-1,3-diazinane-2,4-dione
PubChem CID170954148
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-(2-methyl-3-propan-2-ylphenyl)-1,3-diazinane-2,4-dione
SMILESCc1c(C(C)C)cccc1N1CCC(=O)NC1=O
InChIInChI=1S/C14H18N2O2/c1-9(2)11-5-4-6-12(10(11)3)16-8-7-13(17)15-14(16)18/h4-6,9H,7-8H2,1-3H3,(H,15,17,18)
InChIKeyFRLFFCOYQBXZLV-UHFFFAOYSA-N
XLogP2.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,2-dimethyl-3-propan-2-ylindol-7-yl)-1,3-diazinane-2,4-dione
CID 176562040
1-[2,4-di(propan-2-yl)phenyl]-1,3-diazinane-2,4-dione
CID 167282782
1-(1-methyl-2-oxo-3-pyridinyl)-1,3-diazinane-2,4-dione
CID 155261434
1-(1-methylindol-4-yl)-1,3-diazinane-2,4-dione
CID 168870529
1-(2-hydroxyphenyl)-1,3-diazinane-2,4-dione
CID 15060157
1-(2,3-dichlorophenyl)-1,3-diazinane-2,4-dione
CID 79776901
1-(7-propan-2-yl-3H-benzimidazol-4-yl)-1,3-diazinane-2,4-dione
CID 167282385
1-(2-methyl-5-propan-2-yl-3-pyridinyl)-1,3-diazinane-2,4-dione
CID 176558358
1-(8-methoxy-7-propan-2-ylisoquinolin-4-yl)-1,3-diazinane-2,4-dione
CID 164567682
1-[2-methyl-4-(4-propan-2-yloxyphenyl)phenyl]-1,3-diazinane-2,4-dione
CID 167860720
1-[4-(4-propan-2-ylphenyl)phenyl]-1,3-diazinane-2,4-dione
CID 167923462
1-(5-amino-2-methylphenyl)-1,3-diazinane-2,4-dione;hydrochloride
CID 171705611

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-3-propan-2-ylphenyl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(2-methyl-3-propan-2-ylphenyl)-1,3-diazinane-2,4-dione (CID 170954148) is 1-(2-methyl-3-propan-2-ylphenyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(2-methyl-3-propan-2-ylphenyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(2-methyl-3-propan-2-ylphenyl)-1,3-diazinane-2,4-dione is Cc1c(C(C)C)cccc1N1CCC(=O)NC1=O.
What is the InChIKey of 1-(2-methyl-3-propan-2-ylphenyl)-1,3-diazinane-2,4-dione?
The InChIKey is FRLFFCOYQBXZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-9(2)11-5-4-6-12(10(11)3)16-8-7-13(17)15-14(16)18/h4-6,9H,7-8H2,1-3H3,(H,15,17,18).
What are the key properties of 1-(2-methyl-3-propan-2-ylphenyl)-1,3-diazinane-2,4-dione?
1-(2-methyl-3-propan-2-ylphenyl)-1,3-diazinane-2,4-dione has a molecular weight of 246.31 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-3-propan-2-ylphenyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 170954148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).