5-(aminomethyl)-6-(2-bromo-4-methylphenoxy)-1,3-dimethylpyrimidine-2,4-dione

C14H16BrN3O3 — CID 166001785

IUPAC5-(aminomethyl)-6-(2-bromo-4-methylphenoxy)-1,3-dimethylpyrimidine-2,4-dione
SMILESCc1ccc(Oc2c(CN)c(=O)n(C)c(=O)n2C)c(Br)c1
InChIInChI=1S/C14H16BrN3O3/c1-8-4-5-11(10(15)6-8)21-13-9(7-16)12(19)17(2)14(20)18(13)3/h4-6H,7,16H2,1-3H3
InChIKeyXNSCJZVAUBYKED-UHFFFAOYSA-N
MW354.20 g/mol
LogP1.41
Rot. Bonds3

About 5-(aminomethyl)-6-(2-bromo-4-methylphenoxy)-1,3-dimethylpyrimidine-2,4-dione

5-(aminomethyl)-6-(2-bromo-4-methylphenoxy)-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 166001785) has the molecular formula C14H16BrN3O3 and a molecular weight of 354.20 g/mol. Its IUPAC name is 5-(aminomethyl)-6-(2-bromo-4-methylphenoxy)-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(aminomethyl)-6-(2-bromo-4-methylphenoxy)-1,3-dimethylpyrimidine-2,4-dione
PubChem CID166001785
Molecular FormulaC14H16BrN3O3
Molecular Weight354.20 g/mol
Exact Mass353.04
IUPAC Name5-(aminomethyl)-6-(2-bromo-4-methylphenoxy)-1,3-dimethylpyrimidine-2,4-dione
SMILESCc1ccc(Oc2c(CN)c(=O)n(C)c(=O)n2C)c(Br)c1
InChIInChI=1S/C14H16BrN3O3/c1-8-4-5-11(10(15)6-8)21-13-9(7-16)12(19)17(2)14(20)18(13)3/h4-6H,7,16H2,1-3H3
InChIKeyXNSCJZVAUBYKED-UHFFFAOYSA-N
XLogP1.41
TPSA79.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.20
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-6-(2-bromo-4-methylphenoxy)-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-(aminomethyl)-6-(2-bromo-4-methylphenoxy)-1,3-dimethylpyrimidine-2,4-dione (CID 166001785) is 5-(aminomethyl)-6-(2-bromo-4-methylphenoxy)-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-(aminomethyl)-6-(2-bromo-4-methylphenoxy)-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-(aminomethyl)-6-(2-bromo-4-methylphenoxy)-1,3-dimethylpyrimidine-2,4-dione is Cc1ccc(Oc2c(CN)c(=O)n(C)c(=O)n2C)c(Br)c1.
What is the InChIKey of 5-(aminomethyl)-6-(2-bromo-4-methylphenoxy)-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is XNSCJZVAUBYKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O3/c1-8-4-5-11(10(15)6-8)21-13-9(7-16)12(19)17(2)14(20)18(13)3/h4-6H,7,16H2,1-3H3.
What are the key properties of 5-(aminomethyl)-6-(2-bromo-4-methylphenoxy)-1,3-dimethylpyrimidine-2,4-dione?
5-(aminomethyl)-6-(2-bromo-4-methylphenoxy)-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 354.20 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-6-(2-bromo-4-methylphenoxy)-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 166001785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).