1,3-dimethyl-6-[(4-methylanilino)methyl]-1,3-diazinane-2,4-dione

C14H19N3O2 — CID 73164606

IUPAC1,3-dimethyl-6-[(4-methylanilino)methyl]-1,3-diazinane-2,4-dione
SMILESCc1ccc(NCC2CC(=O)N(C)C(=O)N2C)cc1
InChIInChI=1S/C14H19N3O2/c1-10-4-6-11(7-5-10)15-9-12-8-13(18)17(3)14(19)16(12)2/h4-7,12,15H,8-9H2,1-3H3
InChIKeyCDWOWLWSXSUQNW-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.69
Rot. Bonds3

About 1,3-dimethyl-6-[(4-methylanilino)methyl]-1,3-diazinane-2,4-dione

1,3-dimethyl-6-[(4-methylanilino)methyl]-1,3-diazinane-2,4-dione (PubChem CID 73164606) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1,3-dimethyl-6-[(4-methylanilino)methyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-[(4-methylanilino)methyl]-1,3-diazinane-2,4-dione
PubChem CID73164606
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1,3-dimethyl-6-[(4-methylanilino)methyl]-1,3-diazinane-2,4-dione
SMILESCc1ccc(NCC2CC(=O)N(C)C(=O)N2C)cc1
InChIInChI=1S/C14H19N3O2/c1-10-4-6-11(7-5-10)15-9-12-8-13(18)17(3)14(19)16(12)2/h4-7,12,15H,8-9H2,1-3H3
InChIKeyCDWOWLWSXSUQNW-UHFFFAOYSA-N
XLogP1.69
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[2-(4-methoxyphenyl)ethyl]-1,3-dimethyl-1,3-diazinane-2,4-dione
CID 135069719
(3R)-1-methyl-3-[4-(4-methylphenoxy)anilino]pyrrolidine-2,5-dione
CID 51511443
ethane;1-(4-methylanilino)propan-2-one
CID 143614458
1-[(4S,5S)-1,3-dimethyl-5-[(4-methylphenyl)carbamoylamino]-2-oxoimidazolidin-4-yl]-3-(4-methylphenyl)urea
CID 7446709
(3aR,7aR)-2-[(4-methylanilino)methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 7034706
5-(anilinomethyl)-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 23733002
(3R)-1-(4-ethylphenyl)-3-[2-(4-methylanilino)ethylamino]pyrrolidine-2,5-dione
CID 40696755
2-(4-methylanilino)ethanethiol
CID 13460852
CID 177436983
CID 177436983
(3aS,5R,6R,7aS)-5,6-dibromo-2-[(4-methylanilino)methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 11874972
(1R,2R,6S,7S)-4-[(4-methylanilino)methyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 713647
4-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]aniline
CID 79605512

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-[(4-methylanilino)methyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-[(4-methylanilino)methyl]-1,3-diazinane-2,4-dione (CID 73164606) is 1,3-dimethyl-6-[(4-methylanilino)methyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-[(4-methylanilino)methyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-[(4-methylanilino)methyl]-1,3-diazinane-2,4-dione is Cc1ccc(NCC2CC(=O)N(C)C(=O)N2C)cc1.
What is the InChIKey of 1,3-dimethyl-6-[(4-methylanilino)methyl]-1,3-diazinane-2,4-dione?
The InChIKey is CDWOWLWSXSUQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10-4-6-11(7-5-10)15-9-12-8-13(18)17(3)14(19)16(12)2/h4-7,12,15H,8-9H2,1-3H3.
What are the key properties of 1,3-dimethyl-6-[(4-methylanilino)methyl]-1,3-diazinane-2,4-dione?
1,3-dimethyl-6-[(4-methylanilino)methyl]-1,3-diazinane-2,4-dione has a molecular weight of 261.32 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-[(4-methylanilino)methyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 73164606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).