6-bromo-2-[4-[2-(diethylamino)ethyl]piperazin-1-yl]-8-ethyl-4-methylpyrido[2,3-d]pyrimidin-7-one

C20H31BrN6O — CID 68964700

IUPAC6-bromo-2-[4-[2-(diethylamino)ethyl]piperazin-1-yl]-8-ethyl-4-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCCN(CC)CCN1CCN(c2nc(C)c3cc(Br)c(=O)n(CC)c3n2)CC1
InChIInChI=1S/C20H31BrN6O/c1-5-24(6-2)8-9-25-10-12-26(13-11-25)20-22-15(4)16-14-17(21)19(28)27(7-3)18(16)23-20/h14H,5-13H2,1-4H3
InChIKeyGRZTWMYOMCFPJN-UHFFFAOYSA-N
MW451.41 g/mol
LogP2.35
Rot. Bonds7

About 6-bromo-2-[4-[2-(diethylamino)ethyl]piperazin-1-yl]-8-ethyl-4-methylpyrido[2,3-d]pyrimidin-7-one

6-bromo-2-[4-[2-(diethylamino)ethyl]piperazin-1-yl]-8-ethyl-4-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 68964700) has the molecular formula C20H31BrN6O and a molecular weight of 451.41 g/mol. Its IUPAC name is 6-bromo-2-[4-[2-(diethylamino)ethyl]piperazin-1-yl]-8-ethyl-4-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-bromo-2-[4-[2-(diethylamino)ethyl]piperazin-1-yl]-8-ethyl-4-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID68964700
Molecular FormulaC20H31BrN6O
Molecular Weight451.41 g/mol
Exact Mass450.17
IUPAC Name6-bromo-2-[4-[2-(diethylamino)ethyl]piperazin-1-yl]-8-ethyl-4-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCCN(CC)CCN1CCN(c2nc(C)c3cc(Br)c(=O)n(CC)c3n2)CC1
InChIInChI=1S/C20H31BrN6O/c1-5-24(6-2)8-9-25-10-12-26(13-11-25)20-22-15(4)16-14-17(21)19(28)27(7-3)18(16)23-20/h14H,5-13H2,1-4H3
InChIKeyGRZTWMYOMCFPJN-UHFFFAOYSA-N
XLogP2.35
TPSA57.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.41
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[4-[2-(diethylamino)ethyl]piperazin-1-yl]-8-ethyl-4-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-bromo-2-[4-[2-(diethylamino)ethyl]piperazin-1-yl]-8-ethyl-4-methylpyrido[2,3-d]pyrimidin-7-one (CID 68964700) is 6-bromo-2-[4-[2-(diethylamino)ethyl]piperazin-1-yl]-8-ethyl-4-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-bromo-2-[4-[2-(diethylamino)ethyl]piperazin-1-yl]-8-ethyl-4-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-bromo-2-[4-[2-(diethylamino)ethyl]piperazin-1-yl]-8-ethyl-4-methylpyrido[2,3-d]pyrimidin-7-one is CCN(CC)CCN1CCN(c2nc(C)c3cc(Br)c(=O)n(CC)c3n2)CC1.
What is the InChIKey of 6-bromo-2-[4-[2-(diethylamino)ethyl]piperazin-1-yl]-8-ethyl-4-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is GRZTWMYOMCFPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31BrN6O/c1-5-24(6-2)8-9-25-10-12-26(13-11-25)20-22-15(4)16-14-17(21)19(28)27(7-3)18(16)23-20/h14H,5-13H2,1-4H3.
What are the key properties of 6-bromo-2-[4-[2-(diethylamino)ethyl]piperazin-1-yl]-8-ethyl-4-methylpyrido[2,3-d]pyrimidin-7-one?
6-bromo-2-[4-[2-(diethylamino)ethyl]piperazin-1-yl]-8-ethyl-4-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 451.41 g/mol, XLogP of 2.35, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[4-[2-(diethylamino)ethyl]piperazin-1-yl]-8-ethyl-4-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 68964700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).