7-bromo-1-ethylpyrido[3,2-d]pyrimidine-2,4-dione

C9H8BrN3O2 — CID 167186965

IUPAC7-bromo-1-ethylpyrido[3,2-d]pyrimidine-2,4-dione
SMILESCCn1c(=O)[nH]c(=O)c2ncc(Br)cc21
InChIInChI=1S/C9H8BrN3O2/c1-2-13-6-3-5(10)4-11-7(6)8(14)12-9(13)15/h3-4H,2H2,1H3,(H,12,14,15)
InChIKeyOWFDHTFPEPBBRN-UHFFFAOYSA-N
MW270.09 g/mol
LogP0.87
Rot. Bonds1

About 7-bromo-1-ethylpyrido[3,2-d]pyrimidine-2,4-dione

7-bromo-1-ethylpyrido[3,2-d]pyrimidine-2,4-dione (PubChem CID 167186965) has the molecular formula C9H8BrN3O2 and a molecular weight of 270.09 g/mol. Its IUPAC name is 7-bromo-1-ethylpyrido[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-bromo-1-ethylpyrido[3,2-d]pyrimidine-2,4-dione
PubChem CID167186965
Molecular FormulaC9H8BrN3O2
Molecular Weight270.09 g/mol
Exact Mass268.98
IUPAC Name7-bromo-1-ethylpyrido[3,2-d]pyrimidine-2,4-dione
SMILESCCn1c(=O)[nH]c(=O)c2ncc(Br)cc21
InChIInChI=1S/C9H8BrN3O2/c1-2-13-6-3-5(10)4-11-7(6)8(14)12-9(13)15/h3-4H,2H2,1H3,(H,12,14,15)
InChIKeyOWFDHTFPEPBBRN-UHFFFAOYSA-N
XLogP0.87
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.09
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-ethylpyrido[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 7-bromo-1-ethylpyrido[3,2-d]pyrimidine-2,4-dione (CID 167186965) is 7-bromo-1-ethylpyrido[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-bromo-1-ethylpyrido[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-bromo-1-ethylpyrido[3,2-d]pyrimidine-2,4-dione is CCn1c(=O)[nH]c(=O)c2ncc(Br)cc21.
What is the InChIKey of 7-bromo-1-ethylpyrido[3,2-d]pyrimidine-2,4-dione?
The InChIKey is OWFDHTFPEPBBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3O2/c1-2-13-6-3-5(10)4-11-7(6)8(14)12-9(13)15/h3-4H,2H2,1H3,(H,12,14,15).
What are the key properties of 7-bromo-1-ethylpyrido[3,2-d]pyrimidine-2,4-dione?
7-bromo-1-ethylpyrido[3,2-d]pyrimidine-2,4-dione has a molecular weight of 270.09 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-ethylpyrido[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 167186965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).