2-amino-6-bromo-8-cyclobutyl-4-methylpyrido[2,3-d]pyrimidin-7-one

C12H13BrN4O — CID 67240606

IUPAC2-amino-6-bromo-8-cyclobutyl-4-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(N)nc2c1cc(Br)c(=O)n2C1CCC1
InChIInChI=1S/C12H13BrN4O/c1-6-8-5-9(13)11(18)17(7-3-2-4-7)10(8)16-12(14)15-6/h5,7H,2-4H2,1H3,(H2,14,15,16)
InChIKeyVDNAIJQYRHFYIV-UHFFFAOYSA-N
MW309.17 g/mol
LogP2.17
Rot. Bonds1

About 2-amino-6-bromo-8-cyclobutyl-4-methylpyrido[2,3-d]pyrimidin-7-one

2-amino-6-bromo-8-cyclobutyl-4-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 67240606) has the molecular formula C12H13BrN4O and a molecular weight of 309.17 g/mol. Its IUPAC name is 2-amino-6-bromo-8-cyclobutyl-4-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-6-bromo-8-cyclobutyl-4-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID67240606
Molecular FormulaC12H13BrN4O
Molecular Weight309.17 g/mol
Exact Mass308.03
IUPAC Name2-amino-6-bromo-8-cyclobutyl-4-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(N)nc2c1cc(Br)c(=O)n2C1CCC1
InChIInChI=1S/C12H13BrN4O/c1-6-8-5-9(13)11(18)17(7-3-2-4-7)10(8)16-12(14)15-6/h5,7H,2-4H2,1H3,(H2,14,15,16)
InChIKeyVDNAIJQYRHFYIV-UHFFFAOYSA-N
XLogP2.17
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.17
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-bromo-8-cyclobutyl-4-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-amino-6-bromo-8-cyclobutyl-4-methylpyrido[2,3-d]pyrimidin-7-one (CID 67240606) is 2-amino-6-bromo-8-cyclobutyl-4-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-amino-6-bromo-8-cyclobutyl-4-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-amino-6-bromo-8-cyclobutyl-4-methylpyrido[2,3-d]pyrimidin-7-one is Cc1nc(N)nc2c1cc(Br)c(=O)n2C1CCC1.
What is the InChIKey of 2-amino-6-bromo-8-cyclobutyl-4-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is VDNAIJQYRHFYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O/c1-6-8-5-9(13)11(18)17(7-3-2-4-7)10(8)16-12(14)15-6/h5,7H,2-4H2,1H3,(H2,14,15,16).
What are the key properties of 2-amino-6-bromo-8-cyclobutyl-4-methylpyrido[2,3-d]pyrimidin-7-one?
2-amino-6-bromo-8-cyclobutyl-4-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 309.17 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-bromo-8-cyclobutyl-4-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 67240606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).