5-[[(2-chlorophenyl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione

C14H16ClN3O2 — CID 28614149

IUPAC5-[[(2-chlorophenyl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(CNCc2ccccc2Cl)c(=O)n(C)c1=O
InChIInChI=1S/C14H16ClN3O2/c1-17-9-11(13(19)18(2)14(17)20)8-16-7-10-5-3-4-6-12(10)15/h3-6,9,16H,7-8H2,1-2H3
InChIKeyXEMFFQLLUBSCAO-UHFFFAOYSA-N
MW293.75 g/mol
LogP1.03
Rot. Bonds4

About 5-[[(2-chlorophenyl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione

5-[[(2-chlorophenyl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 28614149) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 5-[[(2-chlorophenyl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[[(2-chlorophenyl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID28614149
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name5-[[(2-chlorophenyl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(CNCc2ccccc2Cl)c(=O)n(C)c1=O
InChIInChI=1S/C14H16ClN3O2/c1-17-9-11(13(19)18(2)14(17)20)8-16-7-10-5-3-4-6-12(10)15/h3-6,9,16H,7-8H2,1-2H3
InChIKeyXEMFFQLLUBSCAO-UHFFFAOYSA-N
XLogP1.03
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[(2-chlorophenyl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[[(2-chlorophenyl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 28614149) is 5-[[(2-chlorophenyl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[[(2-chlorophenyl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[[(2-chlorophenyl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione is Cn1cc(CNCc2ccccc2Cl)c(=O)n(C)c1=O.
What is the InChIKey of 5-[[(2-chlorophenyl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is XEMFFQLLUBSCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-17-9-11(13(19)18(2)14(17)20)8-16-7-10-5-3-4-6-12(10)15/h3-6,9,16H,7-8H2,1-2H3.
What are the key properties of 5-[[(2-chlorophenyl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
5-[[(2-chlorophenyl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 293.75 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-chlorophenyl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 28614149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).