6-(aminomethyl)-5-(2-bromo-5-fluorophenyl)-1,3-dimethyl-7-morpholin-4-ylpyrido[2,3-d]pyrimidine-2,4-dione

C20H21BrFN5O3 — CID 11605368

IUPAC6-(aminomethyl)-5-(2-bromo-5-fluorophenyl)-1,3-dimethyl-7-morpholin-4-ylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(-c3cc(F)ccc3Br)c(CN)c(N3CCOCC3)nc2n(C)c1=O
InChIInChI=1S/C20H21BrFN5O3/c1-25-18-16(19(28)26(2)20(25)29)15(12-9-11(22)3-4-14(12)21)13(10-23)17(24-18)27-5-7-30-8-6-27/h3-4,9H,5-8,10,23H2,1-2H3
InChIKeyPTGQTILYRYFWNL-UHFFFAOYSA-N
MW478.32 g/mol
LogP1.50
Rot. Bonds3

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

6-(aminomethyl)-5-(2-bromo-5-fluorophenyl)-1,3-dimethyl-7-morpholin-4-ylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 11605368) has the molecular formula C20H21BrFN5O3 and a molecular weight of 478.32 g/mol. Its IUPAC name is 6-(aminomethyl)-5-(2-bromo-5-fluorophenyl)-1,3-dimethyl-7-morpholin-4-ylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(aminomethyl)-5-(2-bromo-5-fluorophenyl)-1,3-dimethyl-7-morpholin-4-ylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID11605368
Molecular FormulaC20H21BrFN5O3
Molecular Weight478.32 g/mol
Exact Mass477.08
IUPAC Name6-(aminomethyl)-5-(2-bromo-5-fluorophenyl)-1,3-dimethyl-7-morpholin-4-ylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(-c3cc(F)ccc3Br)c(CN)c(N3CCOCC3)nc2n(C)c1=O
InChIInChI=1S/C20H21BrFN5O3/c1-25-18-16(19(28)26(2)20(25)29)15(12-9-11(22)3-4-14(12)21)13(10-23)17(24-18)27-5-7-30-8-6-27/h3-4,9H,5-8,10,23H2,1-2H3
InChIKeyPTGQTILYRYFWNL-UHFFFAOYSA-N
XLogP1.50
TPSA95.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.32
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-(aminomethyl)-5-(2-bromo-5-fluorophenyl)-1,3-dimethyl-7-morpholin-4-ylpyrido[2,3-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

7-Amino-6-(Aminomethyl)-5-(2-Bromophenyl)-1,3-Dimethylpyrido[2,3-D]pyrimidine-2,4(1h,3h)-Dione
CID 11632502
7-Amino-6-(aminomethyl)-1,3-dimethyl-5-phenylpyrido[2,3-d]pyrimidine-2,4-dione
CID 11529688
6-(Aminomethyl)-5-(2-bromo-5-fluorophenyl)-1,3-dimethyl-7-(4-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 11547698
7-Amino-6-(aminomethyl)-5-(4-bromophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 11581890
6-(Aminomethyl)-5-(2-bromo-5-fluorophenyl)-1,3-dimethyl-7-(methylamino)pyrido[2,3-d]pyrimidine-2,4-dione
CID 11589872
6-(Aminomethyl)-5-(2-bromo-5-fluorophenyl)-7-(ethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 11597271
7-Amino-6-(aminomethyl)-5-(2-bromo-5-fluorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 11640120
6-(Aminomethyl)-5-(2-bromo-5-fluorophenyl)-7-(diethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 11719625
7-Amino-5-(3-bromophenyl)-1,3-dimethyl-2,4-dioxo-1,3-dihydropyridino[2,3-d]pyr imidine-6-carbonitrile
CID 986880
7-Amino-6-(aminomethyl)-5-(4-fluorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 11508177
[7-Amino-5-(2-bromophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl]methylazanium
CID 78225434
7-(4-Fluorophenyl)-1-(2-methoxyethyl)-5-methylpyrido[2,3-d]pyrimidine-2,4-dione
CID 8196757

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-5-(2-bromo-5-fluorophenyl)-1,3-dimethyl-7-morpholin-4-ylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-(aminomethyl)-5-(2-bromo-5-fluorophenyl)-1,3-dimethyl-7-morpholin-4-ylpyrido[2,3-d]pyrimidine-2,4-dione (CID 11605368) is 6-(aminomethyl)-5-(2-bromo-5-fluorophenyl)-1,3-dimethyl-7-morpholin-4-ylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-(aminomethyl)-5-(2-bromo-5-fluorophenyl)-1,3-dimethyl-7-morpholin-4-ylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-(aminomethyl)-5-(2-bromo-5-fluorophenyl)-1,3-dimethyl-7-morpholin-4-ylpyrido[2,3-d]pyrimidine-2,4-dione is Cn1c(=O)c2c(-c3cc(F)ccc3Br)c(CN)c(N3CCOCC3)nc2n(C)c1=O.
What is the InChIKey of 6-(aminomethyl)-5-(2-bromo-5-fluorophenyl)-1,3-dimethyl-7-morpholin-4-ylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is PTGQTILYRYFWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrFN5O3/c1-25-18-16(19(28)26(2)20(25)29)15(12-9-11(22)3-4-14(12)21)13(10-23)17(24-18)27-5-7-30-8-6-27/h3-4,9H,5-8,10,23H2,1-2H3.
What are the key properties of 6-(aminomethyl)-5-(2-bromo-5-fluorophenyl)-1,3-dimethyl-7-morpholin-4-ylpyrido[2,3-d]pyrimidine-2,4-dione?
6-(aminomethyl)-5-(2-bromo-5-fluorophenyl)-1,3-dimethyl-7-morpholin-4-ylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 478.32 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-5-(2-bromo-5-fluorophenyl)-1,3-dimethyl-7-morpholin-4-ylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 11605368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).