6-bromo-8-ethyl-2-(ethylamino)-4-methylpyrido[2,3-d]pyrimidin-7-one

C12H15BrN4O — CID 886207

IUPAC6-bromo-8-ethyl-2-(ethylamino)-4-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCCNc1nc(C)c2cc(Br)c(=O)n(CC)c2n1
InChIInChI=1S/C12H15BrN4O/c1-4-14-12-15-7(3)8-6-9(13)11(18)17(5-2)10(8)16-12/h6H,4-5H2,1-3H3,(H,14,15,16)
InChIKeyANZAZFFINQEQTC-UHFFFAOYSA-N
MW311.18 g/mol
LogP2.31
Rot. Bonds3

About 6-bromo-8-ethyl-2-(ethylamino)-4-methylpyrido[2,3-d]pyrimidin-7-one

6-bromo-8-ethyl-2-(ethylamino)-4-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 886207) has the molecular formula C12H15BrN4O and a molecular weight of 311.18 g/mol. Its IUPAC name is 6-bromo-8-ethyl-2-(ethylamino)-4-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-bromo-8-ethyl-2-(ethylamino)-4-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID886207
Molecular FormulaC12H15BrN4O
Molecular Weight311.18 g/mol
Exact Mass310.04
IUPAC Name6-bromo-8-ethyl-2-(ethylamino)-4-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCCNc1nc(C)c2cc(Br)c(=O)n(CC)c2n1
InChIInChI=1S/C12H15BrN4O/c1-4-14-12-15-7(3)8-6-9(13)11(18)17(5-2)10(8)16-12/h6H,4-5H2,1-3H3,(H,14,15,16)
InChIKeyANZAZFFINQEQTC-UHFFFAOYSA-N
XLogP2.31
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-ethyl-2-(ethylamino)-4-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-bromo-8-ethyl-2-(ethylamino)-4-methylpyrido[2,3-d]pyrimidin-7-one (CID 886207) is 6-bromo-8-ethyl-2-(ethylamino)-4-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-bromo-8-ethyl-2-(ethylamino)-4-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-bromo-8-ethyl-2-(ethylamino)-4-methylpyrido[2,3-d]pyrimidin-7-one is CCNc1nc(C)c2cc(Br)c(=O)n(CC)c2n1.
What is the InChIKey of 6-bromo-8-ethyl-2-(ethylamino)-4-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is ANZAZFFINQEQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4O/c1-4-14-12-15-7(3)8-6-9(13)11(18)17(5-2)10(8)16-12/h6H,4-5H2,1-3H3,(H,14,15,16).
What are the key properties of 6-bromo-8-ethyl-2-(ethylamino)-4-methylpyrido[2,3-d]pyrimidin-7-one?
6-bromo-8-ethyl-2-(ethylamino)-4-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 311.18 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-ethyl-2-(ethylamino)-4-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 886207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).