5-[(2-chloro-4-methylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione

C14H16ClN3O2 — CID 28967528

IUPAC5-[(2-chloro-4-methylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCc1ccc(NCc2cn(C)c(=O)n(C)c2=O)c(Cl)c1
InChIInChI=1S/C14H16ClN3O2/c1-9-4-5-12(11(15)6-9)16-7-10-8-17(2)14(20)18(3)13(10)19/h4-6,8,16H,7H2,1-3H3
InChIKeyVHLODANZPQDGPS-UHFFFAOYSA-N
MW293.75 g/mol
LogP1.66
Rot. Bonds3

About 5-[(2-chloro-4-methylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione

5-[(2-chloro-4-methylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 28967528) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 5-[(2-chloro-4-methylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(2-chloro-4-methylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID28967528
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name5-[(2-chloro-4-methylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCc1ccc(NCc2cn(C)c(=O)n(C)c2=O)c(Cl)c1
InChIInChI=1S/C14H16ClN3O2/c1-9-4-5-12(11(15)6-9)16-7-10-8-17(2)14(20)18(3)13(10)19/h4-6,8,16H,7H2,1-3H3
InChIKeyVHLODANZPQDGPS-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

5-[(4-bromo-2,3-dichloroanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 107787985
5-[(4-hydroxy-2,5-dimethylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 106953578
1,3-dimethyl-5-[[(4-methylphenyl)methylamino]methyl]pyrimidine-2,4-dione
CID 28618755
4-[(2-chloro-4-methylanilino)methyl]-1-methylpyrrole-2-carbonitrile
CID 103202667
5-(anilinomethyl)-1,3-dimethylpyrimidine-2,4-dione
CID 28610058
2-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-4-methylaniline
CID 114841500
2-chloro-4-methyl-N-[(2,3,6-trichlorophenyl)methyl]aniline
CID 43772671
5-[(2,2-dimethylhydrazinyl)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 83004176
1,3-dimethyl-5-[(4-methylsulfanylanilino)methyl]pyrimidine-2,4-dione
CID 28613717
5-[(3-bromo-4-fluoroanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 115909466
5-[(1,3-benzodioxol-5-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 28619927
N-[(2-chloro-4-methylphenyl)methyl]-1,3-dimethylpyrazol-4-amine
CID 106863330

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-4-methylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[(2-chloro-4-methylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 28967528) is 5-[(2-chloro-4-methylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[(2-chloro-4-methylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[(2-chloro-4-methylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione is Cc1ccc(NCc2cn(C)c(=O)n(C)c2=O)c(Cl)c1.
What is the InChIKey of 5-[(2-chloro-4-methylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is VHLODANZPQDGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-9-4-5-12(11(15)6-9)16-7-10-8-17(2)14(20)18(3)13(10)19/h4-6,8,16H,7H2,1-3H3.
What are the key properties of 5-[(2-chloro-4-methylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
5-[(2-chloro-4-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 5-[(2-chloro-4-methylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 28967528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).