6-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

C19H20BrN7O3 — CID 89460569

IUPAC6-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCOc1nc(Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)nc2[nH]c(CC)c(Br)c12
InChIInChI=1S/C19H20BrN7O3/c1-5-11-13(20)12-14(23-11)24-18(25-16(12)30-6-2)22-9-7-10-15(21-8-9)26(3)19(29)27(4)17(10)28/h7-8H,5-6H2,1-4H3,(H2,22,23,24,25)
InChIKeyGVTRDRGHLYMPHD-UHFFFAOYSA-N
MW474.32 g/mol
LogP2.37
Rot. Bonds5

About 6-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

6-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 89460569) has the molecular formula C19H20BrN7O3 and a molecular weight of 474.32 g/mol. Its IUPAC name is 6-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID89460569
Molecular FormulaC19H20BrN7O3
Molecular Weight474.32 g/mol
Exact Mass473.08
IUPAC Name6-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCOc1nc(Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)nc2[nH]c(CC)c(Br)c12
InChIInChI=1S/C19H20BrN7O3/c1-5-11-13(20)12-14(23-11)24-18(25-16(12)30-6-2)22-9-7-10-15(21-8-9)26(3)19(29)27(4)17(10)28/h7-8H,5-6H2,1-4H3,(H2,22,23,24,25)
InChIKeyGVTRDRGHLYMPHD-UHFFFAOYSA-N
XLogP2.37
TPSA119.72 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.32
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (CID 89460569) is 6-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is CCOc1nc(Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)nc2[nH]c(CC)c(Br)c12.
What is the InChIKey of 6-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is GVTRDRGHLYMPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN7O3/c1-5-11-13(20)12-14(23-11)24-18(25-16(12)30-6-2)22-9-7-10-15(21-8-9)26(3)19(29)27(4)17(10)28/h7-8H,5-6H2,1-4H3,(H2,22,23,24,25).
What are the key properties of 6-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
6-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 474.32 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 89460569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).