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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Related Compounds

3-Hydroxypyrido(3,2-d)pyrimidine-2,4(1H,3H)-dione
CID 303852
3-Amino-5-bromopyridine-2-carboxamide
CID 21075862
7-bromo-3H,4H-pyrido(3,2-d)pyrimidin-4-one
CID 135682052
3-(4-methylbenzyl)pyrido[3,2-d]pyrimidine-2,4(1H,3H)-dione
CID 20994638
Pyrido(3,2-d)pyrimidine-2,4-diol
CID 595909
1,3-Dimethylpyrido(3,2-d)pyrimidine-2,4(1H,3H)-dione
CID 605608
3-(2-phenylethyl)pyrido[3,2-d]pyrimidine-2,4(1H,3H)-dione
CID 11357628
3-(pyridin-3-ylmethyl)pyrido[3,2-d]pyrimidine-2,4(1H,3H)-dione
CID 20994639
3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidine-2,4(1H,3H)-dione
CID 33676844
Methyl (2,4-dioxo-1,4-dihydropyrido[3,2-d]pyrimidin-3(2H)-yl)acetate
CID 33676969
1,3,6-Trimethylpyrido[3,2-d]pyrimidine-2,4(1H,3H)-dione
CID 609515
3-phenyl-1H-pyrido[3,2-d]pyrimidine-2,4-dione
CID 12628639

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).