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

C14H16ClN3O2 — CID 66253105

IUPAC6-[(2-chloro-6-methylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCc1cccc(Cl)c1NCc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C14H16ClN3O2/c1-9-5-4-6-11(15)13(9)16-8-10-7-12(19)18(3)14(20)17(10)2/h4-7,16H,8H2,1-3H3
InChIKeyINUSNXYZPBWGCQ-UHFFFAOYSA-N
MW293.75 g/mol
LogP1.66
Rot. Bonds3

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

6-[(2-chloro-6-methylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 66253105) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 6-[(2-chloro-6-methylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(2-chloro-6-methylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID66253105
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name6-[(2-chloro-6-methylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCc1cccc(Cl)c1NCc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C14H16ClN3O2/c1-9-5-4-6-11(15)13(9)16-8-10-7-12(19)18(3)14(20)17(10)2/h4-7,16H,8H2,1-3H3
InChIKeyINUSNXYZPBWGCQ-UHFFFAOYSA-N
XLogP1.66
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[(2-chlorophenyl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 43233511
6-[[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 99836953
6-[(4-bromo-3,5-dimethylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 103579729
6-[(4-chloro-2-fluoroanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 60705584
2-chloro-N-[(3,5-dimethylphenyl)methyl]-6-methylaniline
CID 66253245
N,N'-bis(2-chloro-6-methylphenyl)methanediamine
CID 22450713
6-[[(4-chlorophenyl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 43233503
2-chloro-N-[(3-fluorophenyl)methyl]-6-methylaniline
CID 66253216
2-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-methylaniline
CID 83089565
[4-[(2-chloro-6-methylanilino)methyl]phenyl]methanol
CID 112630922
2-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-6-methylaniline
CID 66251464
2-chloro-6-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 66252468

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chloro-6-methylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[(2-chloro-6-methylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 66253105) is 6-[(2-chloro-6-methylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[(2-chloro-6-methylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[(2-chloro-6-methylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione is Cc1cccc(Cl)c1NCc1cc(=O)n(C)c(=O)n1C.
What is the InChIKey of 6-[(2-chloro-6-methylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is INUSNXYZPBWGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-9-5-4-6-11(15)13(9)16-8-10-7-12(19)18(3)14(20)17(10)2/h4-7,16H,8H2,1-3H3.
What are the key properties of 6-[(2-chloro-6-methylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
6-[(2-chloro-6-methylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 293.75 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chloro-6-methylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 66253105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).