6-[(2,3-dimethylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione

C15H19N3O2 — CID 43233588

IUPAC6-[(2,3-dimethylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCc1cccc(NCc2cc(=O)n(C)c(=O)n2C)c1C
InChIInChI=1S/C15H19N3O2/c1-10-6-5-7-13(11(10)2)16-9-12-8-14(19)18(4)15(20)17(12)3/h5-8,16H,9H2,1-4H3
InChIKeyHESXWGQRWFURJC-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.31
Rot. Bonds3

About 6-[(2,3-dimethylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione

6-[(2,3-dimethylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 43233588) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 6-[(2,3-dimethylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(2,3-dimethylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID43233588
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name6-[(2,3-dimethylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCc1cccc(NCc2cc(=O)n(C)c(=O)n2C)c1C
InChIInChI=1S/C15H19N3O2/c1-10-6-5-7-13(11(10)2)16-9-12-8-14(19)18(4)15(20)17(12)3/h5-8,16H,9H2,1-4H3
InChIKeyHESXWGQRWFURJC-UHFFFAOYSA-N
XLogP1.31
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(2-chloro-6-methylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 66253105
6-[(4-chloro-2-fluoroanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 60705584
1,3-dimethyl-6-[[(6-methyl-2-pyridinyl)methylamino]methyl]pyrimidine-2,4-dione
CID 62322141
1,3-dimethyl-6-[(pyrrol-1-ylamino)methyl]pyrimidine-2,4-dione
CID 79100621
6-[[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 99836953
2,3-dimethyl-N-[(2-methyltetrazol-5-yl)methyl]aniline
CID 68880752
1,3-dimethyl-6-[[(5-methylthiophen-2-yl)methylamino]methyl]pyrimidine-2,4-dione
CID 55021421
1,3-dimethyl-6-[[[(1S)-2-methyl-1-phenylpropyl]amino]methyl]pyrimidine-2,4-dione
CID 94532848
2-[(2,3-dimethylanilino)methyl]phenol
CID 3236047
6-[[(4-chlorophenyl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 43233503
1,3-dimethyl-6-[[(2-methyl-2-thiophen-2-ylpropyl)amino]methyl]pyrimidine-2,4-dione
CID 80526557
N-[(4-fluorophenyl)methyl]-2,3-dimethylaniline
CID 40632168

Frequently Asked Questions

What is the IUPAC name of 6-[(2,3-dimethylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[(2,3-dimethylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 43233588) is 6-[(2,3-dimethylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[(2,3-dimethylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[(2,3-dimethylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione is Cc1cccc(NCc2cc(=O)n(C)c(=O)n2C)c1C.
What is the InChIKey of 6-[(2,3-dimethylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is HESXWGQRWFURJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10-6-5-7-13(11(10)2)16-9-12-8-14(19)18(4)15(20)17(12)3/h5-8,16H,9H2,1-4H3.
What are the key properties of 6-[(2,3-dimethylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
6-[(2,3-dimethylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 273.34 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,3-dimethylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 43233588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).