6-(aminomethyl)-5-(2-bromo-5-fluorophenyl)-7-(diethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

C20H23BrFN5O2 — CID 11719625

IUPAC6-(aminomethyl)-5-(2-bromo-5-fluorophenyl)-7-(diethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCN(CC)c1nc2c(c(-c3cc(F)ccc3Br)c1CN)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C20H23BrFN5O2/c1-5-27(6-2)17-13(10-23)15(12-9-11(22)7-8-14(12)21)16-18(24-17)25(3)20(29)26(4)19(16)28/h7-9H,5-6,10,23H2,1-4H3
InChIKeyKWUIPYRTIGQIQH-UHFFFAOYSA-N
MW464.34 g/mol
LogP2.51
Rot. Bonds5

About 6-(aminomethyl)-5-(2-bromo-5-fluorophenyl)-7-(diethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

6-(aminomethyl)-5-(2-bromo-5-fluorophenyl)-7-(diethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 11719625) has the molecular formula C20H23BrFN5O2 and a molecular weight of 464.34 g/mol. Its IUPAC name is 6-(aminomethyl)-5-(2-bromo-5-fluorophenyl)-7-(diethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(aminomethyl)-5-(2-bromo-5-fluorophenyl)-7-(diethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID11719625
Molecular FormulaC20H23BrFN5O2
Molecular Weight464.34 g/mol
Exact Mass463.10
IUPAC Name6-(aminomethyl)-5-(2-bromo-5-fluorophenyl)-7-(diethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCN(CC)c1nc2c(c(-c3cc(F)ccc3Br)c1CN)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C20H23BrFN5O2/c1-5-27(6-2)17-13(10-23)15(12-9-11(22)7-8-14(12)21)16-18(24-17)25(3)20(29)26(4)19(16)28/h7-9H,5-6,10,23H2,1-4H3
InChIKeyKWUIPYRTIGQIQH-UHFFFAOYSA-N
XLogP2.51
TPSA86.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-5-(2-bromo-5-fluorophenyl)-7-(diethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-(aminomethyl)-5-(2-bromo-5-fluorophenyl)-7-(diethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (CID 11719625) is 6-(aminomethyl)-5-(2-bromo-5-fluorophenyl)-7-(diethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-(aminomethyl)-5-(2-bromo-5-fluorophenyl)-7-(diethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-(aminomethyl)-5-(2-bromo-5-fluorophenyl)-7-(diethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is CCN(CC)c1nc2c(c(-c3cc(F)ccc3Br)c1CN)c(=O)n(C)c(=O)n2C.
What is the InChIKey of 6-(aminomethyl)-5-(2-bromo-5-fluorophenyl)-7-(diethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is KWUIPYRTIGQIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrFN5O2/c1-5-27(6-2)17-13(10-23)15(12-9-11(22)7-8-14(12)21)16-18(24-17)25(3)20(29)26(4)19(16)28/h7-9H,5-6,10,23H2,1-4H3.
What are the key properties of 6-(aminomethyl)-5-(2-bromo-5-fluorophenyl)-7-(diethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
6-(aminomethyl)-5-(2-bromo-5-fluorophenyl)-7-(diethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 464.34 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-5-(2-bromo-5-fluorophenyl)-7-(diethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 11719625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).