5-bromo-1-methylpyrido[2,3-d]pyrimidine-2,4-dione

C8H6BrN3O2 — CID 114764129

IUPAC5-bromo-1-methylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]c(=O)c2c(Br)ccnc21
InChIInChI=1S/C8H6BrN3O2/c1-12-6-5(4(9)2-3-10-6)7(13)11-8(12)14/h2-3H,1H3,(H,11,13,14)
InChIKeyZBAGBNSXXVMVMD-UHFFFAOYSA-N
MW256.06 g/mol
LogP0.38
Rot. Bonds

About 5-bromo-1-methylpyrido[2,3-d]pyrimidine-2,4-dione

5-bromo-1-methylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 114764129) has the molecular formula C8H6BrN3O2 and a molecular weight of 256.06 g/mol. Its IUPAC name is 5-bromo-1-methylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-bromo-1-methylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID114764129
Molecular FormulaC8H6BrN3O2
Molecular Weight256.06 g/mol
Exact Mass254.96
IUPAC Name5-bromo-1-methylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]c(=O)c2c(Br)ccnc21
InChIInChI=1S/C8H6BrN3O2/c1-12-6-5(4(9)2-3-10-6)7(13)11-8(12)14/h2-3H,1H3,(H,11,13,14)
InChIKeyZBAGBNSXXVMVMD-UHFFFAOYSA-N
XLogP0.38
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.06
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-bromo-1-methylpyrido[2,3-d]pyrimidine-2,4-dione (CID 114764129) is 5-bromo-1-methylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-bromo-1-methylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-bromo-1-methylpyrido[2,3-d]pyrimidine-2,4-dione is Cn1c(=O)[nH]c(=O)c2c(Br)ccnc21.
What is the InChIKey of 5-bromo-1-methylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is ZBAGBNSXXVMVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3O2/c1-12-6-5(4(9)2-3-10-6)7(13)11-8(12)14/h2-3H,1H3,(H,11,13,14).
What are the key properties of 5-bromo-1-methylpyrido[2,3-d]pyrimidine-2,4-dione?
5-bromo-1-methylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 256.06 g/mol, XLogP of 0.38, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-methylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 114764129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).