6-(aminomethyl)-5-(5-fluoro-2-methoxyphenyl)-1,3-dimethyl-7-[[2-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-d]pyrimidine-2,4-dione

C25H23F4N5O3 — CID 25115295

IUPAC6-(aminomethyl)-5-(5-fluoro-2-methoxyphenyl)-1,3-dimethyl-7-[[2-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(F)cc1-c1c(CN)c(NCc2ccccc2C(F)(F)F)nc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C25H23F4N5O3/c1-33-22-20(23(35)34(2)24(33)36)19(15-10-14(26)8-9-18(15)37-3)16(11-30)21(32-22)31-12-13-6-4-5-7-17(13)25(27,28)29/h4-10H,11-12,30H2,1-3H3,(H,31,32)
InChIKeyUEAQHFINJSVCCL-UHFFFAOYSA-N
MW517.48 g/mol
LogP3.54
Rot. Bonds6

About 6-(aminomethyl)-5-(5-fluoro-2-methoxyphenyl)-1,3-dimethyl-7-[[2-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-d]pyrimidine-2,4-dione

6-(aminomethyl)-5-(5-fluoro-2-methoxyphenyl)-1,3-dimethyl-7-[[2-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 25115295) has the molecular formula C25H23F4N5O3 and a molecular weight of 517.48 g/mol. Its IUPAC name is 6-(aminomethyl)-5-(5-fluoro-2-methoxyphenyl)-1,3-dimethyl-7-[[2-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(aminomethyl)-5-(5-fluoro-2-methoxyphenyl)-1,3-dimethyl-7-[[2-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID25115295
Molecular FormulaC25H23F4N5O3
Molecular Weight517.48 g/mol
Exact Mass517.17
IUPAC Name6-(aminomethyl)-5-(5-fluoro-2-methoxyphenyl)-1,3-dimethyl-7-[[2-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(F)cc1-c1c(CN)c(NCc2ccccc2C(F)(F)F)nc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C25H23F4N5O3/c1-33-22-20(23(35)34(2)24(33)36)19(15-10-14(26)8-9-18(15)37-3)16(11-30)21(32-22)31-12-13-6-4-5-7-17(13)25(27,28)29/h4-10H,11-12,30H2,1-3H3,(H,31,32)
InChIKeyUEAQHFINJSVCCL-UHFFFAOYSA-N
XLogP3.54
TPSA104.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.48
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-5-(5-fluoro-2-methoxyphenyl)-1,3-dimethyl-7-[[2-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-(aminomethyl)-5-(5-fluoro-2-methoxyphenyl)-1,3-dimethyl-7-[[2-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-d]pyrimidine-2,4-dione (CID 25115295) is 6-(aminomethyl)-5-(5-fluoro-2-methoxyphenyl)-1,3-dimethyl-7-[[2-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-(aminomethyl)-5-(5-fluoro-2-methoxyphenyl)-1,3-dimethyl-7-[[2-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-(aminomethyl)-5-(5-fluoro-2-methoxyphenyl)-1,3-dimethyl-7-[[2-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-d]pyrimidine-2,4-dione is COc1ccc(F)cc1-c1c(CN)c(NCc2ccccc2C(F)(F)F)nc2c1c(=O)n(C)c(=O)n2C.
What is the InChIKey of 6-(aminomethyl)-5-(5-fluoro-2-methoxyphenyl)-1,3-dimethyl-7-[[2-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is UEAQHFINJSVCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F4N5O3/c1-33-22-20(23(35)34(2)24(33)36)19(15-10-14(26)8-9-18(15)37-3)16(11-30)21(32-22)31-12-13-6-4-5-7-17(13)25(27,28)29/h4-10H,11-12,30H2,1-3H3,(H,31,32).
What are the key properties of 6-(aminomethyl)-5-(5-fluoro-2-methoxyphenyl)-1,3-dimethyl-7-[[2-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-d]pyrimidine-2,4-dione?
6-(aminomethyl)-5-(5-fluoro-2-methoxyphenyl)-1,3-dimethyl-7-[[2-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 517.48 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-5-(5-fluoro-2-methoxyphenyl)-1,3-dimethyl-7-[[2-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 25115295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).