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

C18H19BrFN5O2 — CID 11597271

IUPAC6-(aminomethyl)-5-(2-bromo-5-fluorophenyl)-7-(ethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCNc1nc2c(c(-c3cc(F)ccc3Br)c1CN)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C18H19BrFN5O2/c1-4-22-15-11(8-21)13(10-7-9(20)5-6-12(10)19)14-16(23-15)24(2)18(27)25(3)17(14)26/h5-7H,4,8,21H2,1-3H3,(H,22,23)
InChIKeyPXXXJKLIYAELBV-UHFFFAOYSA-N
MW436.29 g/mol
LogP2.09
Rot. Bonds4

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

6-(aminomethyl)-5-(2-bromo-5-fluorophenyl)-7-(ethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 11597271) has the molecular formula C18H19BrFN5O2 and a molecular weight of 436.29 g/mol. Its IUPAC name is 6-(aminomethyl)-5-(2-bromo-5-fluorophenyl)-7-(ethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(aminomethyl)-5-(2-bromo-5-fluorophenyl)-7-(ethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID11597271
Molecular FormulaC18H19BrFN5O2
Molecular Weight436.29 g/mol
Exact Mass435.07
IUPAC Name6-(aminomethyl)-5-(2-bromo-5-fluorophenyl)-7-(ethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCNc1nc2c(c(-c3cc(F)ccc3Br)c1CN)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C18H19BrFN5O2/c1-4-22-15-11(8-21)13(10-7-9(20)5-6-12(10)19)14-16(23-15)24(2)18(27)25(3)17(14)26/h5-7H,4,8,21H2,1-3H3,(H,22,23)
InChIKeyPXXXJKLIYAELBV-UHFFFAOYSA-N
XLogP2.09
TPSA94.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.29
LogP ≤ 52.09
H-Bond Donors ≤ 52
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-(ethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-(aminomethyl)-5-(2-bromo-5-fluorophenyl)-7-(ethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (CID 11597271) is 6-(aminomethyl)-5-(2-bromo-5-fluorophenyl)-7-(ethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-(aminomethyl)-5-(2-bromo-5-fluorophenyl)-7-(ethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-(aminomethyl)-5-(2-bromo-5-fluorophenyl)-7-(ethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is CCNc1nc2c(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-(ethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is PXXXJKLIYAELBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrFN5O2/c1-4-22-15-11(8-21)13(10-7-9(20)5-6-12(10)19)14-16(23-15)24(2)18(27)25(3)17(14)26/h5-7H,4,8,21H2,1-3H3,(H,22,23).
What are the key properties of 6-(aminomethyl)-5-(2-bromo-5-fluorophenyl)-7-(ethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
6-(aminomethyl)-5-(2-bromo-5-fluorophenyl)-7-(ethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 436.29 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 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-(ethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 11597271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).